Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:21 UTC
Update Date2025-03-25 01:00:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245595
Frequency0.5
Structure
Chemical FormulaC13H22N2
Molecular Mass206.1783
SMILESCCNCC(C)Nc1ccc(C)cc1C
InChI KeyPHPVKLZMQSKXLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass xylenes
Direct Parent m-xylenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • Substituents
  • secondary aliphatic amine
  • m-xylene
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine