Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZVS65BLB59
EPA CompTox DTXSID8065038

Structure

InChI Key NGCFMKFMMGSXJO-UHFFFAOYSA-N
Smiles CCCN(CCC)CN(CCC)CCC
InChI
InChI=1S/C13H30N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H30N2
Molecular Weight 214.24
AlogP 3.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 6.48
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10333-53-6
NORMAN SUSDAT
FDA SRS ZVS65BLB59
PubChem 82551
ChemSpider 74500.0