Basic information
- CAS
39728-53-5- Standard SMILES
Cc1cc(N)cc(C)c1C(=O)NCCN1CC2CCC(CC2)C1- InChIKey
FAHQGAUMLWVNRU-UHFFFAOYSA-N- Molecular formula
- C19H29N3O
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.23106256
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(2-(3-azabicyclo(3.2.2)non-3-yl)ethyl)-2,6-dimethyl-
- IUPAC
- 4-amino-N-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-2,6-dimethylbenzamide
- English name
- 4-Amino-N-[2-[3-azabicyclo[3.2.2]non-3-yl]ethyl]-2,6-dimethylbenzamide
- Molecular weight
- 0
Names & synonyms
BRN 165407639728-53-5Benzamide, 4-amino-N-(2-(3-azabicyclo(3.2.2)non-3-yl)ethyl)-2,6-dimethyl-DTXSID401928125-20-04-00385 (Beilstein Handbook Reference)4-Amino-N-(2-(3-azabicyclo(3.2.2)non-3-yl)ethyl)-2,6-dimethylbenzamideRefChem:321675DTXCID801153034-amino-N-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-2,6-dimethylbenzamide4-Amino-N-[2-[3-azabicyclo[3.2.2]non-3-yl]ethyl]-2,6-dimethylbenzamide
Database identifiers
- CAS
39728-53-5- PubChem CID
- 217848
- DTXSID
DTXSID40192812- Nikkaji
- J68.031A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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