Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S6SQ4PR628
EPA CompTox DTXSID10229649

Structure

InChI Key XXCZIZBMFPDINL-UHFFFAOYSA-N
Smiles NCCCCNC1CCCCC1
InChI
InChI=1S/C10H22N2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10,12H,1-9,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22N2
Molecular Weight 170.18
AlogP 1.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 38.05
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 79419-72-0
NORMAN SUSDAT
FDA SRS S6SQ4PR628
PubChem 54364
ChemSpider 49105.0