2-Methyl-1-[2-(2-methylpropanoyl)diazocan-1-yl]propan-1-one
Basic information
- CAS
59417-08-2- Standard SMILES
CC(C)C(=O)N1CCCCCCN1C(=O)C(C)C- InChIKey
JFWOSNMZDKSOMZ-UHFFFAOYSA-N- Molecular formula
- C14H26N2O2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.19942808
Names & identifiers
- Preferred name
- 2-Methyl-1-[2-(2-methylpropanoyl)diazocan-1-yl]propan-1-one
- IUPAC
- 2-methyl-1-[2-(2-methylpropanoyl)diazocan-1-yl]propan-1-one
Names & synonyms
MLS00311553059417-08-2NSC281681DTXSID10314241NSC-281681SMR0018311051,1'-(1,2-Diazocane-1,2-diyl)bis(2-methylpropan-1-one)
Database identifiers
- CAS
59417-08-2- PubChem CID
- 322979
- DTXSID
DTXSID10314241- Nikkaji
- J1.230.473K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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