Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(4-methylphenyl)-
Basic information
- CAS
133307-92-3- Standard SMILES
Cc1ccc(NCCN2c3ccccc3N=C3CCCC3C23CCCC3)cc1- InChIKey
JBPPOPTZKRNWMB-UHFFFAOYSA-N- Molecular formula
- C25H31N3
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.251798
Names & identifiers
- Preferred name
- Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(4-methylphenyl)-
- IUPAC
- 4-methyl-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline
Names & synonyms
BRN 4333470133307-92-3Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(4-methylphenyl)-RefChem:380965DTXSID609280594-Methyl-N-[2-(1,2,3,10a-tetrahydro-9H-spiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1'-cyclopentan]-9-yl)ethyl]aniline
Database identifiers
- CAS
133307-92-3- PubChem CID
- 3077045
- DTXSID
DTXSID60928059- Nikkaji
- J362.643A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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