5-cyclobutylimino-3,3-dimethylcyclohexan-1-one

C12H19NO — CID 91450747

IUPAC5-cyclobutylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCC2)C1
InChIInChI=1S/C12H19NO/c1-12(2)7-10(6-11(14)8-12)13-9-4-3-5-9/h9H,3-8H2,1-2H3/b13-10+
InChIKeyAEAIAYDSRWGINE-JLHYYAGUSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds1

About 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one

5-cyclobutylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 91450747) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cyclobutylimino-3,3-dimethylcyclohexan-1-one
PubChem CID91450747
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-cyclobutylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCC2)C1
InChIInChI=1S/C12H19NO/c1-12(2)7-10(6-11(14)8-12)13-9-4-3-5-9/h9H,3-8H2,1-2H3/b13-10+
InChIKeyAEAIAYDSRWGINE-JLHYYAGUSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
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

(5z)-3,3-Dimethyl-5-(methylimino)cyclohexanone
CID 238695
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
Cyclobutanone, 3-(cyclohexylimino)-2,2,4,4-tetramethyl-
CID 143129
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclopropylimino-3,3-dimethylcyclohexan-1-one
CID 8025300
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
2-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 56989613
3-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 57031861
5-Hexylimino-3,3-dimethylcyclohexan-1-one
CID 57088225
4,4-Dimethyl-2-methyliminocyclohexan-1-one
CID 57089896

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one (CID 91450747) is 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CCC2)C1.
What is the InChIKey of 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is AEAIAYDSRWGINE-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)7-10(6-11(14)8-12)13-9-4-3-5-9/h9H,3-8H2,1-2H3/b13-10+.
What are the key properties of 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one?
5-cyclobutylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 91450747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).