Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2067610

Structure

InChI Key LPOUQGUYVMSQOH-UHFFFAOYSA-N
Smiles NCCNCCNCCN1CCNCC1
InChI
InChI=1S/C10H25N5/c11-1-2-12-3-4-13-5-8-15-9-6-14-7-10-15/h12-14H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H25N5
Molecular Weight 215.21
AlogP -1.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 65.35
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 31295-49-5
NORMAN SUSDAT
PubChem 161702
ChemSpider 142023.0