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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:04:58 UTC
Update Date2025-03-21 22:08:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00497162
Frequency3.4
Structure
Chemical FormulaC7H16N2
Molecular Mass128.1313
SMILESCNCC1CCCN1C
InChI KeyVAGHQPQYMACYDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • secondary amine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine