1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane
Basic information
- CAS
23853-67-0- Standard SMILES
Cc1ccc(C)c2c1CC(N1CCCCCC1)CC2C- InChIKey
KTKDUHJCKPMPTP-UHFFFAOYSA-N- Molecular formula
- C19H29N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.22999993
Names & identifiers
- Preferred name
- 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane
- IUPAC
- 1-(4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)azepane
- English name
- Hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethylnaphthalen-2-yl)-1H-azepine
- Molecular formula
- C19H29N
- Molecular weight
- 271.44
Names & synonyms
1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepaneDTXSID9033640623853-67-0RefChem:224626DTXCID002874951-(4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)azepaneKTKDUHJCKPMPTP-UHFFFAOYSA-N1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthyl)-1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane #Hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethylnaphthalen-2-yl)-1H-azepine1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthalenyl)-
Database identifiers
- CAS
23853-67-0- PubChem CID
- 533589
- DTXSID
DTXSID90336406- Nikkaji
- J130.689H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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