Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:12 UTC
Update Date2025-03-21 18:34:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100997
Frequency27.1
Structure
Chemical FormulaC9H14N2
Molecular Mass150.1157
SMILESCn1ccc(C2CCCN2)c1
InChI KeyXMBDECWMRBPCCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • secondary amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine