Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3SKX99X4GB
EPA CompTox DTXSID3064067

Structure

InChI Key WKYSBZBUEASENO-UHFFFAOYSA-N
Smiles NCCCCCC1=NCCCCC1
InChI
InChI=1S/C11H22N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h1-10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2
Molecular Weight 182.18
AlogP 2.52
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.38
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 5960-99-6
NORMAN SUSDAT
FDA SRS 3SKX99X4GB
PubChem 80061
ChemSpider 72313.0