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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245263
Frequency0.5
Structure
Chemical FormulaC14H21N3
Molecular Mass231.1735
SMILESCN1C2CCC1CC(NCc1cccnc1)C2
InChI KeyICMHXMJFPIFSGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classtropane alkaloids
Subclass tropane alkaloids
Direct Parent tropane alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • secondary amine
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound