Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7071650

Structure

InChI Key HVBXZPOGJMBMLN-UHFFFAOYSA-N
Smiles CCCN(CCC)CCN(CCC)CCC
InChI
InChI=1S/C14H32N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-14H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H32N2
Molecular Weight 228.26
AlogP 3.23
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 68555-41-9
NORMAN SUSDAT
PubChem 110537
ChemSpider 95568.0