5,7-Diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one
Basic information
- CAS
332933-50-3- Standard SMILES
CC(C)C12CN3CC(C(C)C)(CN(C1)C3(C)C)C2=O- InChIKey
OPNXLNZVQCVBJC-UHFFFAOYSA-N- Molecular formula
- C16H28N2O
- Average molar mass
- 264.41 g/mol
- Monoisotopic mass
- 264.22016352
Names & identifiers
- Preferred name
- 5,7-Diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one
- IUPAC
- 2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Names & synonyms
332933-50-35,7-diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-oneOprea1_179328Oprea1_214168MLS000712936CHEMBL1482601DTXSID101320997HMS1704P14HMS2670H10STL513506AKOS000549889AKOS037491629
Show more names
2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-oneSMR000282703AJ-292/13893048SR-01000314279SR-01000314279-1(1r,5R,7S)-5,7-diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one(5s,7s)-2,2-dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one2,2-Dimethyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Database identifiers
- CAS
332933-50-3- PubChem CID
- 808569
- DTXSID
DTXSID101320997- ChEMBL
CHEMBL1482601
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility32 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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