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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:32:21 UTC
Update Date2023-02-21 17:19:11 UTC
HMDB IDHMDB0029740
Secondary Accession Numbers
  • HMDB29740
Metabolite Identification
Common NameIndole-3-methanamine
DescriptionIndole-3-methanamine, also known as 3-aminomethylindole or 3-indolylmethylamine, belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. An aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. Indole-3-methanamine is a very strong basic compound (based on its pKa). Outside of the human body, indole-3-methanamine has been detected, but not quantified in, barley, cereals, and cereal products. This could make indole-3-methanamine a potential biomarker for the consumption of these foods.
Structure
Thumb
Synonyms
ValueSource
1H-indol-3-YlmethanamineChEBI
3-AminomethylindoleChEBI
AMIChEBI
3-(Aminomethyl)indoleHMDB
3-IndolylmethylamineHMDB
1-(1H-Indol-3-yl)methanamineHMDB
1H-Indol-3-ylmethylamineHMDB
1H-Indole-3-methanamineHMDB
3-IndoylmethanamineHMDB
Indole-3-methanamineHMDB
Chemical FormulaC9H10N2
Average Molecular Weight146.1891
Monoisotopic Molecular Weight146.08439833
IUPAC Name(1H-indol-3-yl)methanamine
Traditional Name1H-indol-3-ylmethanamine
CAS Registry Number22259-53-6
SMILES
NCC1=CNC2=C1C=CC=C2
InChI Identifier
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
InChI KeyJXYGLMATGAAIBU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndoles
Direct Parent3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Aralkylamine
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point104 - 107 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP1.55Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB000940
KNApSAcK IDC00055141
Chemspider ID414602
KEGG Compound IDNot Available
BioCyc IDCPD-8913
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound472107
PDB IDNot Available
ChEBI ID65009
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .