Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20194859

Structure

InChI Key BKFRZOZNMWIFLH-UHFFFAOYSA-N
Smiles CCCCCCCCCCn1ccnc1C
InChI
InChI=1S/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26N2
Molecular Weight 222.21
AlogP 4.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 17.82
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 42032-30-4
NORMAN SUSDAT
PubChem 2775924
ChemSpider 2056251.0