Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-(3-dimethylaminopropyl)-3,9-dimethyl-
Basic information
- CAS
37683-54-8- Standard SMILES
Cc1ccc2c(c1)c1c(n2CCCN(C)C)CCN(C)CC1- InChIKey
SBANABZSEGVIFK-UHFFFAOYSA-N- Molecular formula
- C19H29N3
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.23614794
Names & identifiers
- Preferred name
- Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-(3-dimethylaminopropyl)-3,9-dimethyl-
- IUPAC
- 3-(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-N,N-dimethylpropan-1-amine
- English name
- 2,3,4,5-Tetrahydro-N,N,3,9-tetramethylazepino[4,5-b]indole-6(1H)-propan-1-amine
- Molecular formula
- C19H29N3
- Molecular weight
- 299.45
Names & synonyms
37683-54-8Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-(3-dimethylaminopropyl)-3,9-dimethyl-DTXSID301911171,2,3,4,5,6-Hexahydro-6-(3-dimethylaminopropyl)-3,9-dimethylazepino(4,5-b)indoleRefChem:320297DTXCID401136083-(3,9-Dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N,N-dimethylpropan-1-amineAzepino[4,5-b]indole-6(1H)-propanamine, 2,3,4,5-tetrahydro-N,N,3,9-tetramethyl-2,3,4,5-Tetrahydro-N,N,3,9-tetramethylazepino[4,5-b]indole-6(1H)-propan-1-amine
Database identifiers
- CAS
37683-54-8- PubChem CID
- 37810
- DTXSID
DTXSID30191117- Nikkaji
- J54.664J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 11.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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