Basic information
- CAS
59417-07-1- Standard SMILES
CC(C)C(=O)N1CCCCCN1C(=O)C(C)C- InChIKey
HVZCERFCSLFIPR-UHFFFAOYSA-N- Molecular formula
- C13H24N2O2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.18377801
Names & identifiers
- Preferred name
- 2-Methyl-1-[2-(2-methylpropanoyl)diazepan-1-yl]propan-1-one
- IUPAC
- 2-methyl-1-[2-(2-methylpropanoyl)diazepan-1-yl]propan-1-one
Names & synonyms
59417-07-1NSC 2816842-methyl-1-[2-(2-methylpropanoyl)diazepan-1-yl]propan-1-oneNSC281684DTXSID30314243NSC-2816841,1'-(1,2-Diazepane-1,2-diyl)bis(2-methylpropan-1-one)
Database identifiers
- CAS
59417-07-1- PubChem CID
- 322982
- DTXSID
DTXSID30314243- Nikkaji
- J1.230.472B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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