Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:22 UTC
Update Date2025-03-21 18:37:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116083
Frequency22.6
Structure
Chemical FormulaC10H14N2
Molecular Mass162.1157
SMILESCC1(c2cccnc2)CCNC1
InChI KeyJXJNVJSWGSVGDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine