Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4067224

Structure

InChI Key DQWFTGPZPKZMAB-UHFFFAOYSA-N
Smiles NCCCCCC(N)CCCCCN
InChI
InChI=1S/C11H27N3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11H,1-10,12-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H27N3
Molecular Weight 201.22
AlogP 1.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 78.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 26547-09-1
NORMAN SUSDAT
PubChem 117815
ChemSpider 105282.0