Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RLW8RGW62R
EPA CompTox DTXSID001314745

Structure

InChI Key BFSPDSULNCBNTM-UHFFFAOYSA-N
Smiles NCCCC=CCCCCCN
InChI
InChI=1/C10H22N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1,3H,2,4-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22N2
Molecular Weight 170.18
AlogP 1.8
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 52.04
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94107-43-4
NORMAN SUSDAT
FDA SRS RLW8RGW62R
PubChem 3023536