Basic information
- CAS
42899-31-0- Standard SMILES
CC(=O)N1CCCC2=C1CCCCCCCCCC2- InChIKey
IJIAWNSSXSURTG-UHFFFAOYSA-N- Molecular formula
- C17H29NO
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.22491455
Names & identifiers
- Preferred name
- 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
- IUPAC
- 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
Names & synonyms
42899-31-0NSC2780281-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanoneDTXSID50313874NSC-2780281-(3,4,5,6,7,8,9,10,11,12,13,14-Dodecahydrocyclododeca[b]pyridin-1(2H)-yl)ethan-1-one
Database identifiers
- CAS
42899-31-0- PubChem CID
- 322112
- DTXSID
DTXSID50313874
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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