3-ethylimino-4,4-dimethylcyclohexan-1-one

C10H17NO — CID 57031861

IUPAC3-ethylimino-4,4-dimethylcyclohexan-1-one
SMILESCC/N=C1\CC(=O)CCC1(C)C
InChIInChI=1S/C10H17NO/c1-4-11-9-7-8(12)5-6-10(9,2)3/h4-7H2,1-3H3/b11-9+
InChIKeyYVQBSNPTQIJTDD-PKNBQFBNSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds1

About 3-ethylimino-4,4-dimethylcyclohexan-1-one

3-ethylimino-4,4-dimethylcyclohexan-1-one (PubChem CID 57031861) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-ethylimino-4,4-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethylimino-4,4-dimethylcyclohexan-1-one
PubChem CID57031861
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-ethylimino-4,4-dimethylcyclohexan-1-one
SMILESCC/N=C1\CC(=O)CCC1(C)C
InChIInChI=1S/C10H17NO/c1-4-11-9-7-8(12)5-6-10(9,2)3/h4-7H2,1-3H3/b11-9+
InChIKeyYVQBSNPTQIJTDD-PKNBQFBNSA-N
XLogP2.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Imino-3,3-dimethylcyclohexan-1-one
CID 238694
5-({2-[(3,3-Dimethyl-5-oxocyclohexylidene)amino]ethyl}imino)-3,3-dimethylcyclohexanone
CID 3989585
(5z)-3,3-Dimethyl-5-(methylimino)cyclohexanone
CID 238695
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
3-Butylimino-5,5-dimethyl-2-(2,2,2-trifluoroethyl-lambda3-iodanylidene)cyclohexan-1-one
CID 102091905
(5E)-5-(dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 6380817
2-Butanoyl-3-butylimino-5,5-dimethylcyclohexan-1-one
CID 7169199
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
5,5-Dimethyl-3-methylimino-2-pentanoylcyclohexan-1-one
CID 28469096
5,5-Dimethyl-2-pentanoyl-3-propan-2-yliminocyclohexan-1-one
CID 28469101
5-(Dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 314886
(5Z)-5-(dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 5358211

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-4,4-dimethylcyclohexan-1-one?
The IUPAC name of 3-ethylimino-4,4-dimethylcyclohexan-1-one (CID 57031861) is 3-ethylimino-4,4-dimethylcyclohexan-1-one.
What is the SMILES notation for 3-ethylimino-4,4-dimethylcyclohexan-1-one?
The canonical SMILES for 3-ethylimino-4,4-dimethylcyclohexan-1-one is CC/N=C1\CC(=O)CCC1(C)C.
What is the InChIKey of 3-ethylimino-4,4-dimethylcyclohexan-1-one?
The InChIKey is YVQBSNPTQIJTDD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-11-9-7-8(12)5-6-10(9,2)3/h4-7H2,1-3H3/b11-9+.
What are the key properties of 3-ethylimino-4,4-dimethylcyclohexan-1-one?
3-ethylimino-4,4-dimethylcyclohexan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-4,4-dimethylcyclohexan-1-one is sourced from PubChem (CID 57031861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).