Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:06 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160393
Frequency0.5
Structure
Chemical FormulaC10H14N2
Molecular Mass162.1157
SMILESNc1ccc(N2CCCC2)cc1
InChI KeyURAARCWOADCWLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • pyrroles
  • Substituents
  • monocyclic benzene moiety
  • 1-phenylpyrrolidine
  • aromatic heteromonocyclic compound
  • azacycle
  • aniline or substituted anilines
  • tertiary aliphatic/aromatic amine
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine