Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30187176

Structure

InChI Key PEPIOVUNFZBCIB-UHFFFAOYSA-N
Smiles CCCCCCCCCCn1ccnc1
InChI
InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15/h10,12-13H,2-9,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24N2
Molecular Weight 208.19
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 17.82
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 33529-02-1
NORMAN SUSDAT
PubChem 93164
ChemSpider 84108.0