Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30181977

Structure

InChI Key CJNRGSHEMCMUOE-UHFFFAOYSA-N
Smiles NCCN1CCCCC1
InChI
InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N2
Molecular Weight 128.13
AlogP 0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 27578-60-5
NORMAN SUSDAT
PubChem 33944
ChemSpider 31288.0