Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:32 UTC
Update Date2025-03-21 17:59:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00023199
Frequency169.8
Structure
Chemical FormulaC12H17N
Molecular Mass175.1361
SMILESCN1CCCC1Cc1ccccc1
InChI KeyGNWIZUYPDFJIRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound