Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-2,2,6,6-tetramethyl-
Basic information
- CAS
53725-49-8- Standard SMILES
CCCCC1=CC(C)(C)N(C(=O)CN2CCCCCC2)C(C)(C)C1- InChIKey
LCIYPQCPCSHMJD-UHFFFAOYSA-N- Molecular formula
- C21H38N2O
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.29841384
Names & identifiers
- Preferred name
- Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-2,2,6,6-tetramethyl-
- IUPAC
- 2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone
- English name
- 1,2,3,6-Tetrahydro-4-butyl-1-(hexahydro-1H-azepin-1-ylacetyl)-2,2,6,6-tetramethylpyridine
- Molecular formula
- C21H38N2O
- Molecular weight
- 334.54
Names & synonyms
BRN 165189453725-49-8Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-2,2,6,6-tetramethyl-DTXSID40201998Pyridine, 4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-RefChem:376452DTXCID701244891,2,3,6-Tetrahydro-4-butyl-1-(hexahydro-1H-azepin-1-ylacetyl)-2,2,6,6-tetramethylpyridineDB-3113552-(Azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethan-1-oneEthanone, 1-(4-butyl-3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridinyl)-2-(hexahydro-1H-azepin-1-yl)-
Database identifiers
- CAS
53725-49-8- PubChem CID
- 104587
- DTXSID
DTXSID40201998- Nikkaji
- J85.722J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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