Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6066498

Structure

InChI Key OYEMOASLKDSYHR-UHFFFAOYSA-N
Smiles CN(C)CCCNCCCNCCCN
InChI
InChI=1S/C11H28N4/c1-15(2)11-5-10-14-9-4-8-13-7-3-6-12/h13-14H,3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H28N4
Molecular Weight 216.23
AlogP -0.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 53.32
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 19475-69-5
NORMAN SUSDAT
PubChem 88084
ChemSpider 79468.0