Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00865237

Structure

InChI Key NSQSYCXRUVZPKI-UHFFFAOYSA-N
Smiles N#CCCNCCN
InChI
InChI=1/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1,3-5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N3
Molecular Weight 113.1
AlogP -0.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 61.84
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 22584-31-2
NORMAN SUSDAT
PubChem 89762