Basic information
- CAS
54951-34-7- Standard SMILES
CC(C)N(CCN1CCCCc2ccccc21)C(C)C- InChIKey
JHOORYVOLSYYMM-UHFFFAOYSA-N- Molecular formula
- C18H30N2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.24089897
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-
- IUPAC
- N-propan-2-yl-N-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]propan-2-amine
- English name
- 2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-1H-1-benzazepine
- Molecular formula
- C18H30N2
- Molecular weight
- 274.44
Names & synonyms
54951-34-71H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-1-(2-(DIISOPROPYLAMINO)ETHYL)-BRN 16481641H-1-Benzazepine, 1-(2-(diisopropylamino)ethyl)-2,3,4,5-tetrahydro-DTXSID40203477DB-3234112,3,4,5-TETRAHYDRO-1-[2-(DIISOPROPYLAMINO)ETHYL ]-1H-1-BENZAZEPINEN-(Propan-2-yl)-N-[2-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)ethyl]propan-2-amine2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-1H-1-benzazepine1H-1-Benzazepine-1-ethanamine, 2,3,4,5-tetrahydro-N,N-bis(1-methylethyl)-
Database identifiers
- CAS
54951-34-7- PubChem CID
- 41249
- DTXSID
DTXSID40203477- Nikkaji
- J149.231D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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