1H-Pyrindine-1-propanamide, N-(2,6-dimethylphenyl)octahydro-, monohydrochloride, cis-
Basic information
- CAS
39493-99-7- Standard SMILES
Cc1cccc(C)c1NC(=O)CCN1CCC[C@@H]2CCC[C@@H]21.Cl- InChIKey
FYAQSBZBCLXBKS-QJHJCNPRSA-N- Molecular formula
- C19H29ClN2O
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.1968412
Names & identifiers
- Preferred name
- 1H-Pyrindine-1-propanamide, N-(2,6-dimethylphenyl)octahydro-, monohydrochloride, cis-
- IUPAC
- 3-[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide;hydrochloride
Names & synonyms
cis-2,3,4,4a,5,6,7,7a-Octahydro-1H-pyrindine-1-propiono-2',6'-xylidide hydrochloride39493-99-7cis-N-(2,6-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide monohydrochloride1H-Pyrindine-1-propanamide, N-(2,6-dimethylphenyl)octahydro-, monohydrochloride, cis-RefChem:240287DTXSID50960120N-(2,6-Dimethylphenyl)-3-(octahydro-1H-cyclopenta[b]pyridin-1-yl)propanimidic acid--hydrogen chloride (1/1)N-(2,6-Dimethylphenyl)-3-[(4aS,7aS)-octahydro-1H-cyclopenta[b]pyridin-1-yl]propanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
39493-99-7- PubChem CID
- 217707
- DTXSID
DTXSID50960120
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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