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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 05:55:36 UTC

Update Date

2023-02-21 17:31:07 UTC

HMDB ID

HMDB0062730

Secondary Accession Numbers

HMDB62730

Metabolite Identification

Common Name

N(1)-isopropyl-2-methylpropan-1,2-diamine

Description

N(1)-isopropyl-2-methylpropan-1,2-diamine, also known as 2-amino-1,1-dimethylethylisopropylamine, belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. N(1)-isopropyl-2-methylpropan-1,2-diamine is a very strong basic compound (based on its pKa).

Structure

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

COMPND    HMDB0062730
HETATM    1  C1  UNL     1       2.709   0.715  -0.013  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.870  -0.401  -0.519  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.501  -1.708  -0.009  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.517  -0.417  -0.166  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.321   0.631  -0.584  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.736   0.432  -0.107  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.361  -0.838  -0.611  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.794   0.451   1.416  1.00  0.00           C  
HETATM    9  N2  UNL     1      -2.549   1.546  -0.559  1.00  0.00           N  
HETATM   10  H1  UNL     1       3.407   0.381   0.803  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.178   1.581   0.369  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.404   1.100  -0.814  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.996  -0.451  -1.633  1.00  0.00           H  
HETATM   14  H5  UNL     1       3.512  -1.738  -0.461  1.00  0.00           H  
HETATM   15  H6  UNL     1       1.941  -2.579  -0.364  1.00  0.00           H  
HETATM   16  H7  UNL     1       2.623  -1.664   1.093  1.00  0.00           H  
HETATM   17  H8  UNL     1       0.142  -1.360  -0.114  1.00  0.00           H  
HETATM   18  H9  UNL     1       0.017   1.590  -0.094  1.00  0.00           H  
HETATM   19  H10 UNL     1      -0.363   0.739  -1.682  1.00  0.00           H  
HETATM   20  H11 UNL     1      -1.975  -1.154  -1.602  1.00  0.00           H  
HETATM   21  H12 UNL     1      -2.294  -1.617   0.165  1.00  0.00           H  
HETATM   22  H13 UNL     1      -3.459  -0.664  -0.781  1.00  0.00           H  
HETATM   23  H14 UNL     1      -1.099   1.235   1.778  1.00  0.00           H  
HETATM   24  H15 UNL     1      -2.815   0.737   1.765  1.00  0.00           H  
HETATM   25  H16 UNL     1      -1.461  -0.511   1.848  1.00  0.00           H  
HETATM   26  H17 UNL     1      -2.089   2.420  -0.211  1.00  0.00           H  
HETATM   27  H18 UNL     1      -2.501   1.542  -1.600  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    4   13
CONECT    3   14   15   16
CONECT    4    5   17
CONECT    5    6   18   19
CONECT    6    7    8    9
CONECT    7   20   21   22
CONECT    8   23   24   25
CONECT    9   26   27
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-1,1-dimethylethylisopropylamine	ChEBI

Chemical Formula

C₇H₁₈N₂

Average Molecular Weight

130.235

Monoisotopic Molecular Weight

130.146998588

IUPAC Name

(2-amino-2-methylpropyl)(propan-2-yl)amine

Traditional Name

(2-amino-2-methylpropyl)(isopropyl)amine

CAS Registry Number

5448-29-3

SMILES

CC(C)NCC(C)(C)N

InChI Identifier

InChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3

InChI Key

BVVNMQQFLWWRFT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Dialkylamines

Alternative Parents

Substituents

Secondary aliphatic amine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary aliphatic amine (CHEBI:84265 )
secondary aliphatic amine (CHEBI:84265 )

Ontology

Not Available

Not Available

Not Available

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	62.7 g/l	ALOGPS
LogP	0.75	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.75	ALOGPS
logP	0.48	ChemAxon
logS	-0.32	ALOGPS
pKa (Strongest Basic)	10.49	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	38.05 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	40.87 m³·mol⁻¹	ChemAxon
Polarizability	16.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	130.986	31661259
DarkChem	[M-H]-	126.012	31661259
DeepCCS	[M+H]+	135.099	30932474
DeepCCS	[M-H]-	132.206	30932474
DeepCCS	[M-2H]-	169.059	30932474
DeepCCS	[M+Na]+	144.219	30932474
AllCCS	[M+H]+	131.8	32859911
AllCCS	[M+H-H2O]+	127.9	32859911
AllCCS	[M+NH4]+	135.5	32859911
AllCCS	[M+Na]+	136.5	32859911
AllCCS	[M-H]-	133.3	32859911
AllCCS	[M+Na-2H]-	136.4	32859911
AllCCS	[M+HCOO]-	139.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N(1)-isopropyl-2-methylpropan-1,2-diamine	CC(C)NCC(C)(C)N	1270.0	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine	CC(C)NCC(C)(C)N	884.1	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine	CC(C)NCC(C)(C)N	886.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C	1122.5	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C	1154.6	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C	1249.6	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C	1158.1	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C	1297.7	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C	1462.4	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C)[Si](C)(C)C	1340.0	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C)[Si](C)(C)C	1396.6	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C)[Si](C)(C)C	1284.1	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C)[Si](C)(C)C	1332.4	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C)[Si](C)(C)C	1427.6	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C)[Si](C)(C)C	1376.7	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1560.5	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1629.2	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1361.1	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C(C)(C)C	1346.7	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C(C)(C)C	1361.4	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #1	CC(C)NCC(C)(C)N[Si](C)(C)C(C)(C)C	1393.4	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C(C)(C)C	1368.3	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C(C)(C)C	1490.2	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,1TBDMS,isomer #2	CC(C)N(CC(C)(C)N)[Si](C)(C)C(C)(C)C	1597.5	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1780.2	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1824.0	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #1	CC(C)N(CC(C)(C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1571.9	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1749.8	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1814.4	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,2TBDMS,isomer #2	CC(C)NCC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1595.5	Standard polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TBDMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2178.6	Semi standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TBDMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2246.8	Standard non polar	33892256
N(1)-isopropyl-2-methylpropan-1,2-diamine,3TBDMS,isomer #1	CC(C)N(CC(C)(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1715.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-05fr-9100000000-3cc5198090f6aa234590	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 10V, Positive-QTOF	splash10-00di-9400000000-6432acb8671f63f9a89c	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 20V, Positive-QTOF	splash10-00di-9000000000-4aad385f9386f921907b	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 40V, Positive-QTOF	splash10-05fr-9000000000-d37698efa589550b3fb0	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 10V, Negative-QTOF	splash10-004i-0900000000-b3ec7deae9fe93327ab3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 20V, Negative-QTOF	splash10-004i-2900000000-3f7e1b7858831d55e0cd	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 40V, Negative-QTOF	splash10-074i-9200000000-0b4fd1cb30c89596638e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 10V, Positive-QTOF	splash10-001i-5900000000-08b7780c6332d8b0779a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 20V, Positive-QTOF	splash10-00di-9100000000-013e37bd3bd226ffb1f3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 40V, Positive-QTOF	splash10-0ab9-9000000000-df3c0fb27524d47c5841	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 10V, Negative-QTOF	splash10-004i-0900000000-3fc9eedeb7463f05f9b2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 20V, Negative-QTOF	splash10-004i-1900000000-e364904c823537f97341	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N(1)-isopropyl-2-methylpropan-1,2-diamine 40V, Negative-QTOF	splash10-0a4l-9100000000-20fdcbcdf21a05cf94a2	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

79532

PDB ID

Not Available

ChEBI ID

84265

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

Not Available

Showing metabocard for N(1)-isopropyl-2-methylpropan-1,2-diamine (HMDB0062730)

MOL for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

3D MOL for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

3D SDF for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

3D-SDF for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

PDB for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

3D PDB for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

SMILES for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

INCHI for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

Structure for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

3D Structure for HMDB0062730 (N(1)-isopropyl-2-methylpropan-1,2-diamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra