Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1070010

Structure

InChI Key POXLCEVCOYIZNU-UHFFFAOYSA-N
Smiles NCCCNCCCNCCNCCCNCCCN
InChI
InChI=1S/C14H36N6/c15-5-1-7-17-9-3-11-19-13-14-20-12-4-10-18-8-2-6-16/h17-20H,1-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H36N6
Molecular Weight 288.3
AlogP -1.18
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 17.0
Polar Surface Area 100.16
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 63833-76-1
NORMAN SUSDAT
PubChem 114310
ChemSpider 102369.0