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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:51:12 UTC
Update Date2025-03-24 20:55:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01612215
Frequency0.8
Structure
Chemical FormulaC8H16N2
Molecular Mass140.1313
SMILESCN1C2CCC(N)C1CC2
InChI KeyDVWWFIRHFFEWAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classtropane alkaloids
Subclass tropane alkaloids
Direct Parent tropane alkaloids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • tropane alkaloid
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound