Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10885168

Structure

InChI Key SRGQQZYVZFJYHJ-UHFFFAOYSA-N
Smiles NCC1CCCC1N
InChI
InChI=1/C6H14N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-4,7-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2
Molecular Weight 114.12
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.04
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 21544-02-5
NORMAN SUSDAT
PubChem 89512