3-(Ethylamino)-5,5-dimethylcyclohex-2-en-1-one

HCID 280256

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Basic information

CAS: 42984-30-5
Standard SMILES: CCNC1=CC(=O)CC(C)(C)C1
InChIKey: GQLGFPVDTXNPHC-UHFFFAOYSA-N
Molecular formula: C10H17NO
Average molar mass: 167.25 g/mol
Monoisotopic mass: 167.13101417

Names & identifiers

Preferred name: 3-(Ethylamino)-5,5-dimethylcyclohex-2-en-1-one
IUPAC: 3-(ethylamino)-5,5-dimethylcyclohex-2-en-1-one

Names & synonyms

3-(ethylamino)-5,5-dimethylcyclohex-2-en-1-one42984-30-5DTXSID10299645RefChem:275505DTXCID002507803-ethylamino-5,5-dimethyl-cyclohex-2-en-1-oneNSC131727SCHEMBL486694SBB083252AKOS002681512NSC-131727

Database identifiers

CAS: 42984-30-5
PubChem CID: 280256
DTXSID: DTXSID10299645
Nikkaji: J1.429.804E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 216

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