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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 17:55:33 UTC

Update Date

2021-09-26 23:13:23 UTC

HMDB ID

HMDB0257189

Secondary Accession Numbers

None

Metabolite Identification

Common Name

1-Adamantanecarbonyl-RF-NH2

Description

2-{[(adamantan-1-yl)(hydroxy)methylidene]amino}-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidic acid belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on 2-{[(adamantan-1-yl)(hydroxy)methylidene]amino}-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1-adamantanecarbonyl-rf-nh2 is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1-Adamantanecarbonyl-RF-NH2 is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309112119552D          

 35 38  0  0  0  0            999 V2000
    0.1163   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3012   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0368   -1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END

HMDB0257189
     RDKit          3D
1-Adamantanecarbonyl-RF-NH2
 73 76  0  0  0  0  0  0  0  0999 V2000
    5.1928   -2.1508   -2.4732 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309112119552D          

 35 38  0  0  0  0            999 V2000
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257189

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)

> <INCHI_KEY>
UMKHUSRDQFQHAK-UHFFFAOYSA-N

> <FORMULA>
C26H38N6O3

> <MOLECULAR_WEIGHT>
482.629

> <EXACT_MASS>
482.300539108

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
53.26317072288519

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(adamantan-1-yl)formamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
1.042181760835

> <ALOGPS_LOGS>
-4.59

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.61127554877865

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.407732339052146

> <JCHEM_PKA_STRONGEST_BASIC>
10.788913551177759

> <JCHEM_POLAR_SURFACE_AREA>
165.69

> <JCHEM_REFRACTIVITY>
132.5573

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(adamantan-1-ylformamido)-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257189
     RDKit          3D
1-Adamantanecarbonyl-RF-NH2
 73 76  0  0  0  0  0  0  0  0999 V2000
    5.1928   -2.1508   -2.4732 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1611   -1.3188   -2.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095   -0.1954   -2.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579   -1.6934   -0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753   -2.0717    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.9800    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290   -0.8248    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    0.2035    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    1.1058    1.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.9707    2.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -0.0691    1.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805   -0.6191   -0.6380 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.8168   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300   -1.9803   -1.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289    0.1914   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    1.3592   -1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    2.1784   -1.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825    2.7738   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    3.5599   -0.2197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.8357   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    5.4571    0.2203 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866    5.6056   -0.1168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.4103   -0.6753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894   -0.3596    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    0.2270    1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7427   -0.9316    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4276   -0.6727    1.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7770   -1.3638    1.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5297   -2.8377    1.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9435   -3.0909    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8547   -2.5210   -0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9595   -1.0325   -0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6465   -0.7905    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6037   -0.3613   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -2.4170    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -3.1007   -2.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634   -1.8081   -2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575   -2.5700   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739   -2.3668    1.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775   -2.9861    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153   -1.5113   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9554    0.3227    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796    1.9339    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681    1.6972    3.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622   -0.1304    2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432    0.2651   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572    0.6346    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    2.0318   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    1.0613   -2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    3.1006   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    1.7307   -1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    2.0225    0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275    3.4643    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    5.7738   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    5.5730    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    6.0226    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    5.7530   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6915   -0.8653   -1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6542    0.4280    1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954   -0.9297    2.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2396   -1.1424    2.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4264   -3.4475    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7579   -3.1310    2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8214   -4.1745    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -2.8009   -1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8595   -2.9514   -0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6305   -0.6475   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6203   -1.2998    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7498    0.2986    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018   -0.5454   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7830    0.7292   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -2.8508    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -2.5424   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 15 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 30 35  1  0
 11  6  1  0
 34 26  1  0
 35 26  1  0
 33 28  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  7 41  1  0
  8 42  1  0
  9 43  1  0
 10 44  1  0
 11 45  1  0
 12 46  1  0
 15 47  1  0
 16 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 21 54  1  0
 21 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  0
 27 59  1  0
 27 60  1  0
 28 61  1  0
 29 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 33 69  1  0
 34 70  1  0
 34 71  1  0
 35 72  1  0
 35 73  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       0.217  -3.793   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.590  -3.096   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.590  -1.701   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.429  -0.225   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.056  -0.923   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.056  -2.318   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.429  -3.016   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.802  -2.318   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.963  -3.793   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.802  -0.923   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.291  -2.712   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.376  -1.620   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       5.694  -4.198   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       7.183  -4.592   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.268  -3.500   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.757  -3.893   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.843  -2.801   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      12.331  -3.195   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      13.417  -2.102   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      14.906  -2.496   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      13.014  -0.616   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       7.586  -6.078   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.501  -7.171   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       9.075  -6.472   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       9.479  -7.958   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.967  -8.352   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.371  -9.838   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.860 -10.232   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.263 -11.718   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.178 -12.811   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.689 -12.417   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.285 -10.931   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.393  -9.051   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.797 -10.537   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0       6.904  -8.657   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8    2                                                       
CONECT   10    8    4                                                       
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   14   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   33                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   27                                                       
CONECT   33   25   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0257189
HETATM    1  N1  UNL     1       5.193  -2.151  -2.473  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.161  -1.319  -2.001  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.009  -0.195  -2.554  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.258  -1.693  -0.902  1.00  0.00           C  
HETATM    5  C3  UNL     1       3.975  -2.072   0.372  1.00  0.00           C  
HETATM    6  C4  UNL     1       4.810  -0.980   0.908  1.00  0.00           C  
HETATM    7  C5  UNL     1       6.129  -0.825   0.553  1.00  0.00           C  
HETATM    8  C6  UNL     1       6.911   0.204   1.059  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.384   1.106   1.939  1.00  0.00           C  
HETATM   10  C8  UNL     1       5.061   0.971   2.312  1.00  0.00           C  
HETATM   11  C9  UNL     1       4.284  -0.069   1.795  1.00  0.00           C  
HETATM   12  N2  UNL     1       2.281  -0.619  -0.638  1.00  0.00           N  
HETATM   13  C10 UNL     1       0.902  -0.817  -0.796  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.530  -1.980  -1.174  1.00  0.00           O  
HETATM   15  C11 UNL     1      -0.129   0.191  -0.561  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.127   1.359  -1.511  1.00  0.00           C  
HETATM   17  C13 UNL     1       1.107   2.178  -1.531  1.00  0.00           C  
HETATM   18  C14 UNL     1       1.383   2.774  -0.150  1.00  0.00           C  
HETATM   19  N3  UNL     1       2.592   3.560  -0.220  1.00  0.00           N  
HETATM   20  C15 UNL     1       2.599   4.836  -0.048  1.00  0.00           C  
HETATM   21  N4  UNL     1       1.328   5.457   0.220  1.00  0.00           N  
HETATM   22  N5  UNL     1       3.787   5.606  -0.117  1.00  0.00           N  
HETATM   23  N6  UNL     1      -1.475  -0.410  -0.675  1.00  0.00           N  
HETATM   24  C16 UNL     1      -2.389  -0.360   0.382  1.00  0.00           C  
HETATM   25  O3  UNL     1      -2.009   0.227   1.443  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.743  -0.932   0.348  1.00  0.00           C  
HETATM   27  C18 UNL     1      -4.428  -0.673   1.663  1.00  0.00           C  
HETATM   28  C19 UNL     1      -5.777  -1.364   1.735  1.00  0.00           C  
HETATM   29  C20 UNL     1      -5.530  -2.838   1.543  1.00  0.00           C  
HETATM   30  C21 UNL     1      -4.944  -3.091   0.186  1.00  0.00           C  
HETATM   31  C22 UNL     1      -5.855  -2.521  -0.886  1.00  0.00           C  
HETATM   32  C23 UNL     1      -5.959  -1.032  -0.680  1.00  0.00           C  
HETATM   33  C24 UNL     1      -6.646  -0.790   0.637  1.00  0.00           C  
HETATM   34  C25 UNL     1      -4.604  -0.361  -0.754  1.00  0.00           C  
HETATM   35  C26 UNL     1      -3.609  -2.417   0.081  1.00  0.00           C  
HETATM   36  H1  UNL     1       4.979  -3.101  -2.808  1.00  0.00           H  
HETATM   37  H2  UNL     1       6.163  -1.808  -2.484  1.00  0.00           H  
HETATM   38  H3  UNL     1       2.658  -2.570  -1.212  1.00  0.00           H  
HETATM   39  H4  UNL     1       3.174  -2.367   1.098  1.00  0.00           H  
HETATM   40  H5  UNL     1       4.577  -2.986   0.214  1.00  0.00           H  
HETATM   41  H6  UNL     1       6.615  -1.511  -0.148  1.00  0.00           H  
HETATM   42  H7  UNL     1       7.955   0.323   0.774  1.00  0.00           H  
HETATM   43  H8  UNL     1       6.980   1.934   2.359  1.00  0.00           H  
HETATM   44  H9  UNL     1       4.668   1.697   3.010  1.00  0.00           H  
HETATM   45  H10 UNL     1       3.262  -0.130   2.116  1.00  0.00           H  
HETATM   46  H11 UNL     1       2.743   0.265  -0.317  1.00  0.00           H  
HETATM   47  H12 UNL     1      -0.057   0.635   0.472  1.00  0.00           H  
HETATM   48  H13 UNL     1      -0.961   2.032  -1.145  1.00  0.00           H  
HETATM   49  H14 UNL     1      -0.431   1.061  -2.541  1.00  0.00           H  
HETATM   50  H15 UNL     1       0.849   3.101  -2.159  1.00  0.00           H  
HETATM   51  H16 UNL     1       2.004   1.731  -1.949  1.00  0.00           H  
HETATM   52  H17 UNL     1       1.428   2.023   0.641  1.00  0.00           H  
HETATM   53  H18 UNL     1       0.527   3.464   0.042  1.00  0.00           H  
HETATM   54  H19 UNL     1       0.810   5.774  -0.634  1.00  0.00           H  
HETATM   55  H20 UNL     1       0.971   5.573   1.186  1.00  0.00           H  
HETATM   56  H21 UNL     1       4.187   6.023   0.734  1.00  0.00           H  
HETATM   57  H22 UNL     1       4.259   5.753  -1.026  1.00  0.00           H  
HETATM   58  H23 UNL     1      -1.691  -0.865  -1.579  1.00  0.00           H  
HETATM   59  H24 UNL     1      -4.654   0.428   1.701  1.00  0.00           H  
HETATM   60  H25 UNL     1      -3.795  -0.930   2.539  1.00  0.00           H  
HETATM   61  H26 UNL     1      -6.240  -1.142   2.702  1.00  0.00           H  
HETATM   62  H27 UNL     1      -6.426  -3.448   1.755  1.00  0.00           H  
HETATM   63  H28 UNL     1      -4.758  -3.131   2.296  1.00  0.00           H  
HETATM   64  H29 UNL     1      -4.821  -4.175   0.042  1.00  0.00           H  
HETATM   65  H30 UNL     1      -5.476  -2.801  -1.887  1.00  0.00           H  
HETATM   66  H31 UNL     1      -6.860  -2.951  -0.709  1.00  0.00           H  
HETATM   67  H32 UNL     1      -6.630  -0.648  -1.497  1.00  0.00           H  
HETATM   68  H33 UNL     1      -7.620  -1.300   0.602  1.00  0.00           H  
HETATM   69  H34 UNL     1      -6.750   0.299   0.842  1.00  0.00           H  
HETATM   70  H35 UNL     1      -4.202  -0.545  -1.763  1.00  0.00           H  
HETATM   71  H36 UNL     1      -4.783   0.729  -0.623  1.00  0.00           H  
HETATM   72  H37 UNL     1      -2.879  -2.851   0.796  1.00  0.00           H  
HETATM   73  H38 UNL     1      -3.235  -2.542  -0.948  1.00  0.00           H  
CONECT    1    2   36   37
CONECT    2    3    3    4
CONECT    4    5   12   38
CONECT    5    6   39   40
CONECT    6    7    7   11
CONECT    7    8   41
CONECT    8    9    9   42
CONECT    9   10   43
CONECT   10   11   11   44
CONECT   11   45
CONECT   12   13   46
CONECT   13   14   14   15
CONECT   15   16   23   47
CONECT   16   17   48   49
CONECT   17   18   50   51
CONECT   18   19   52   53
CONECT   19   20   20
CONECT   20   21   22
CONECT   21   54   55
CONECT   22   56   57
CONECT   23   24   58
CONECT   24   25   25   26
CONECT   26   27   34   35
CONECT   27   28   59   60
CONECT   28   29   33   61
CONECT   29   30   62   63
CONECT   30   31   35   64
CONECT   31   32   65   66
CONECT   32   33   34   67
CONECT   33   68   69
CONECT   34   70   71
CONECT   35   72   73
END

HMDB0257189
     RDKit          3D
1-Adamantanecarbonyl-RF-NH2
 73 76  0  0  0  0  0  0  0  0999 V2000
    5.1928   -2.1508   -2.4732 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1611   -1.3188   -2.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095   -0.1954   -2.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579   -1.6934   -0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753   -2.0717    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.9800    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290   -0.8248    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    0.2035    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    1.1058    1.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.9707    2.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -0.0691    1.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805   -0.6191   -0.6380 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.8168   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300   -1.9803   -1.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289    0.1914   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    1.3592   -1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    2.1784   -1.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825    2.7738   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    3.5599   -0.2197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.8357   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    5.4571    0.2203 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866    5.6056   -0.1168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.4103   -0.6753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894   -0.3596    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    0.2270    1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7427   -0.9316    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4276   -0.6727    1.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7770   -1.3638    1.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5297   -2.8377    1.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9435   -3.0909    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8547   -2.5210   -0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9595   -1.0325   -0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6465   -0.7905    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6037   -0.3613   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -2.4170    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -3.1007   -2.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634   -1.8081   -2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575   -2.5700   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739   -2.3668    1.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775   -2.9861    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6153   -1.5113   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9554    0.3227    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796    1.9339    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681    1.6972    3.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622   -0.1304    2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432    0.2651   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572    0.6346    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    2.0318   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    1.0613   -2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    3.1006   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    1.7307   -1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    2.0225    0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275    3.4643    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    5.7738   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    5.5730    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    6.0226    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    5.7530   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6915   -0.8653   -1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6542    0.4280    1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954   -0.9297    2.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2396   -1.1424    2.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4264   -3.4475    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7579   -3.1310    2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8214   -4.1745    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -2.8009   -1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8595   -2.9514   -0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6305   -0.6475   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6203   -1.2998    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7498    0.2986    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018   -0.5454   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7830    0.7292   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -2.8508    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -2.5424   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 15 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 30 35  1  0
 11  6  1  0
 34 26  1  0
 35 26  1  0
 33 28  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  7 41  1  0
  8 42  1  0
  9 43  1  0
 10 44  1  0
 11 45  1  0
 12 46  1  0
 15 47  1  0
 16 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 21 54  1  0
 21 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  0
 27 59  1  0
 27 60  1  0
 28 61  1  0
 29 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 33 69  1  0
 34 70  1  0
 34 71  1  0
 35 72  1  0
 35 73  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-{[(adamantan-1-yl)(hydroxy)methylidene]amino}-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidate	Generator

Chemical Formula

C₂₆H₃₈N₆O₃

Average Molecular Weight

482.629

Monoisotopic Molecular Weight

482.300539108

IUPAC Name

2-[(adamantan-1-yl)formamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

Traditional Name

2-(adamantan-1-ylformamido)-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

CAS Registry Number

Not Available

SMILES

NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O

InChI Identifier

InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)

InChI Key

UMKHUSRDQFQHAK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Monocyclic benzene moiety
Benzenoid
Primary carboxylic acid amide
Guanidine
Secondary carboxylic acid amide
Carboxamide group
Carboximidamide
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	1.73	ALOGPS
logP	1.04	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	12.41	ChemAxon
pKa (Strongest Basic)	10.79	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	165.69 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	132.56 m³·mol⁻¹	ChemAxon
Polarizability	53.26 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	242.631	30932474
DeepCCS	[M+Na]+	217.859	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1-Adamantanecarbonyl-RF-NH2	NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3956.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2	NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3004.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2	NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4573.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4345.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3729.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6730.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	4266.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	3753.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	6553.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4162.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3660.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6931.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4155.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	3700.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	6871.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C	4412.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C	3666.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C	6389.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4287.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	3799.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	6296.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4322.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	3806.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	6680.8	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4186.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3681.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6675.4	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4191.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	3723.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	6643.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4258.5	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3839.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6534.4	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4127.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3789.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6495.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4106.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3750.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6463.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	4037.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	3693.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	6840.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4360.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	3753.6	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	5790.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4234.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	3781.6	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	6548.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4099.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3691.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6511.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4139.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3880.6	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6408.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4128.5	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3851.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6362.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	4019.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	3796.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	6337.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C	4333.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C	3779.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C	6114.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	4265.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	3611.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	6147.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N[Si](C)(C)C	4277.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N[Si](C)(C)C	3671.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N[Si](C)(C)C	6127.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4298.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3872.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6200.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4155.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3824.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6162.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4239.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	3866.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	6172.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4150.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3772.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #8	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6100.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4186.1	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3735.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6565.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4374.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3814.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5610.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4195.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3855.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5970.0	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4212.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3897.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6037.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #12	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4182.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #12	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3891.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #12	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6022.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #13	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	4084.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #13	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	3811.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #13	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	5941.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4150.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3831.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5960.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #15	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	4163.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #15	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	3746.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #15	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(N)=O	6382.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4090.5	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3882.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6214.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4246.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3783.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5575.0	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4263.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	3864.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	5463.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4237.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3734.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5492.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #5	C[Si](C)(C)N(C(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4298.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #5	C[Si](C)(C)N(C(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3868.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #5	C[Si](C)(C)N(C(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5781.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4208.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3719.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5843.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4249.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3779.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5840.8	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	4189.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	3640.5	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	5873.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4314.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3938.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	6057.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4350.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3929.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5249.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4177.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3745.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5592.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4289.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3964.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5904.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4259.1	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	3913.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5834.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4170.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3894.6	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5808.0	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	4140.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	3867.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #14	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	5813.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	4265.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	3810.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)N[Si](C)(C)C	5290.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4273.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3862.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5379.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4198.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3891.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #4	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5224.4	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #5	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	4153.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #5	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	3779.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #5	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C)[Si](C)(C)C	5272.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4261.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	3970.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #6	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	5075.4	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	4174.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	3833.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #7	C[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C	5130.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #8	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4240.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #8	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3825.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #8	C[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5520.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4276.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	3887.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	5532.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4557.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3892.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6780.4	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	4479.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	3926.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2	6599.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4385.1	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3832.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6979.0	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4386.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	3879.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	6928.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C(C)(C)C	4851.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C(C)(C)C	3972.1	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N[Si](C)(C)C(C)(C)C	6332.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4710.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4078.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	6351.3	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4708.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4073.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	6726.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4614.5	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	3970.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6703.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4631.7	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4010.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	6686.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4672.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4124.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6556.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4569.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4077.3	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6524.8	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4512.1	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4048.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6491.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(N)=O	4466.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(N)=O	4002.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(N)=O	6876.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4961.5	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4174.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	5761.8	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4809.1	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	4206.0	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(N)=O	6572.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4683.2	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4114.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6532.6	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4764.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4305.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6424.9	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4699.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4266.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6376.8	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4598.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4226.8	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6367.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4923.3	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4193.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6036.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4855.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4043.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6071.7	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4908.4	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4105.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6076.1	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4883.0	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4276.4	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6216.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4763.8	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4234.2	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6206.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4822.6	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	4280.9	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C12CC3CC(CC(C3)C1)C2	6203.2	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4706.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	4184.7	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C(C)(C)C	6148.5	Standard polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4759.9	Semi standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4152.6	Standard non polar	33892256
1-Adamantanecarbonyl-RF-NH2,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	6574.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1-Adamantanecarbonyl-RF-NH2 GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-8912100000-9c18e20c681614ceb3b2	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-Adamantanecarbonyl-RF-NH2 GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21377935

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76009466

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 1-Adamantanecarbonyl-RF-NH2 (HMDB0257189)

MOL for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

3D MOL for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

3D SDF for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

3D-SDF for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

PDB for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

3D PDB for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

SMILES for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

INCHI for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

Structure for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

3D Structure for HMDB0257189 (1-Adamantanecarbonyl-RF-NH2)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra