Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L5DCE265W2
EPA CompTox DTXSID5073373

Structure

InChI Key DDPRYTUJYNYJKV-UHFFFAOYSA-N
Smiles CC[NH+]1CC[NH+](CC)CC1
InChI
InChI=1S/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2
Molecular Weight 142.15
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 6.48
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6483-50-7
NORMAN SUSDAT
FDA SRS L5DCE265W2
PubChem 80973
ChemSpider 73059.0