Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FRW57N4BFV
EPA CompTox DTXSID90188780

Structure

InChI Key GCOWZPRIMFGIDQ-UHFFFAOYSA-N
Smiles CN(C)CCCCN
InChI
InChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H16N2
Molecular Weight 116.13
AlogP 0.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 29.26
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3529-10-0
NORMAN SUSDAT
FDA SRS FRW57N4BFV
PubChem 77063
ChemSpider 69509.0