5-cyclopropylimino-3,3-dimethylcyclohexan-1-one

C11H17NO — CID 8025300

IUPAC5-cyclopropylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CC2)C1
InChIInChI=1S/C11H17NO/c1-11(2)6-9(5-10(13)7-11)12-8-3-4-8/h8H,3-7H2,1-2H3/b12-9+
InChIKeyZZEQGDJFKBBACK-FMIVXFBMSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds1

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

5-cyclopropylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 8025300) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cyclopropylimino-3,3-dimethylcyclohexan-1-one
PubChem CID8025300
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-cyclopropylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CC2)C1
InChIInChI=1S/C11H17NO/c1-11(2)6-9(5-10(13)7-11)12-8-3-4-8/h8H,3-7H2,1-2H3/b12-9+
InChIKeyZZEQGDJFKBBACK-FMIVXFBMSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.37
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
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
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
4,4-Dimethyl-2-propyliminocyclohexan-1-one
CID 57156006
4,4-Dimethyl-3-methyliminocyclohexan-1-one
CID 57197434

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one (CID 8025300) is 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CC2)C1.
What is the InChIKey of 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is ZZEQGDJFKBBACK-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)6-9(5-10(13)7-11)12-8-3-4-8/h8H,3-7H2,1-2H3/b12-9+.
What are the key properties of 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one?
5-cyclopropylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 8025300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).