| CAS Number | 91211-41-5 |
| Catalog Number | AG01C3TM(AGN-PC-0DM9TE) |
| Chemical Name | 3-[cyclohexyl(ethyl)amino]propanenitrile |
| IUPAC Name | 3-[cyclohexyl(ethyl)amino]propanenitrile |
| InChI | InChI=1S/C11H20N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h11H,2-8,10H2,1H3 |
| InChI Key | MCPIGQQNAJMBQI-UHFFFAOYSA-N |
| MDL Number | MFCD09950839 |
| Molecular Formula | C11H20N2 |
| Molecular Weight | 180.2899 |
| SMILES | CCN(C1CCCCC1)CCC#N |
| Synonyms | 3-[cyclohexyl(ethyl)amino]propanenitrile,
91211-41-5,
SCHEMBL155830,
ZINC19519210,
AKOS000196833,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.295g/mol |
| Monoisotopic Mass | 180.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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