5-(2'-Dimethylaminoethyl)-4-aza-10,11-dihydro-5H-dibenzo(a,d)cycloheptene
Basic information
- CAS
18728-85-3- Standard SMILES
CN(C)CCC1c2ccccc2CCc2cccnc21- InChIKey
AFHBTDCJPJOQKJ-UHFFFAOYSA-N- Molecular formula
- C18H22N2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.17829871
Names & identifiers
- Preferred name
- 5-(2'-Dimethylaminoethyl)-4-aza-10,11-dihydro-5H-dibenzo(a,d)cycloheptene
- IUPAC
- 2-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)-N,N-dimethylethanamine
Names & synonyms
2YY292R6U2UNII-2YY292R6U25-(2'-Dimethylaminoethyl)-4-aza-10,11-dihydro-5H-dibenzo(a,d)cycloheptene18728-85-35H-Benzo(5,6)cyclohepta(1,2-b)pyridine-11-ethanamine, 6,11-dihydro-N,N-dimethyl-6,11-Dihydro-N,N-dimethyl-5H-benzo(5,6)cyclohepta(1,2-b)pyridine-11-ethanamine
Database identifiers
- CAS
18728-85-3- PubChem CID
- 31732
- UNII
- 2YY292R6U2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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