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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:52:18 UTC
Update Date2025-03-24 18:00:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01039758
Frequency1.3
Structure
Chemical FormulaC8H14N2
Molecular Mass138.1157
SMILESC1CN=C(C2CCCN2)C1
InChI KeyXGPIPWHIRCDESJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidines
    • Substituents
  • secondary aliphatic amine
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine