Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80196410

Structure

InChI Key QJFMXJDSWJZAAL-UHFFFAOYSA-N
Smiles C=CCN(CCN(CC=C)CC=C)CC=C
InChI
InChI=1S/C14H24N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-8H,1-4,9-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2
Molecular Weight 220.19
AlogP 2.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 6.48
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 45173-37-3
NORMAN SUSDAT
PubChem 153522
ChemSpider 135307.0