2-(N,N-Dimethylaminomethyl)-2,3,7,8-tetrahydro-1H-quino(1,8-ab)(1)benzazepine
Basic information
- CAS
78491-00-6- Standard SMILES
CN(C)CC1Cc2cccc3c2N(C1)c1ccccc1CC3- InChIKey
NBRBSCHWUDZMQU-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(N,N-Dimethylaminomethyl)-2,3,7,8-tetrahydro-1H-quino(1,8-ab)(1)benzazepine
- IUPAC
- 1-(1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylmethanamine
- English name
- 2-(N,N-dimethylaminomethyl)-2,3,7,8-tetrahydro-1H-quino(1,8-ab)(1)benzazepine
- Molecular weight
- 0
Names & synonyms
N,N-Dtqb2-(N,N-Dimethylaminomethyl)-2,3,7,8-tetrahydro-1H-quino(1,8-ab)(1)benzazepine78491-00-6RefChem:84798DTXSID709997951H-Quino(1,8-ab)(1)benzazepine-2-methanamine, 2,3,7,8-tetrahydro-N,N-dimethyl-N,N-Dimethyl-1-(2,3,7,8-tetrahydro-1H-quinolino[1,8-ab][1]benzazepin-2-yl)methanamine1H-Benzo(b)pyrido(3,2,1-jk)(1)benzazepine-2-methanamine, 2,3,7,8-tetrahydro-N,N-dimethyl-, (3R-(3alpha(2S*,5S*(2R*,6S*),6S*),4aalpha,12aalpha))-
Database identifiers
- CAS
78491-00-6- PubChem CID
- 132864
- DTXSID
DTXSID70999795
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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