2-[(2-Methylpyridin-4-yl)methyl]azepane
Basic information
- CAS
527674-27-7- Standard SMILES
Cc1cc(CC2CCCCCN2)ccn1- InChIKey
WUZGNRMAWBTSDY-UHFFFAOYSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- 2-[(2-Methylpyridin-4-yl)methyl]azepane
- IUPAC
- 2-[(2-methyl-4-pyridinyl)methyl]azepane
- English name
- Hexahydro-2-[(2-methyl-4-pyridinyl)methyl]-1H-azepine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.31
Names & synonyms
527674-27-72-[(2-methylpyridin-4-yl)methyl]azepane2-((2-Methylpyridin-4-yl)methyl)azepaneDTXSID00404741DB-308110Hexahydro-2-[(2-methyl-4-pyridinyl)methyl ]-1h-azepineHexahydro-2-[(2-methyl-4-pyridinyl)methyl]-1H-azepine1H-Azepine, hexahydro-2-[(2-methyl-4-pyridinyl)methyl]-
Database identifiers
- CAS
527674-27-7- PubChem CID
- 4600396
- DTXSID
DTXSID00404741
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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