Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:38 UTC
Update Date2025-03-25 00:57:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228005
Frequency0.5
Structure
Chemical FormulaC12H15N
Molecular Mass173.1204
SMILESC1=CN(Cc2ccccc2)CCC1
InChI KeyJDIJEKGDFDAXGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylmethylamines
Direct Parent phenylmethylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tetrahydropyridines
  • trialkylamines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • aralkylamine
  • phenylmethylamine
  • benzylamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • enamine