4,4-dimethyl-2-propyliminocyclohexan-1-one

C11H19NO — CID 57156006

IUPAC4,4-dimethyl-2-propyliminocyclohexan-1-one
SMILESCCC/N=C1\CC(C)(C)CCC1=O
InChIInChI=1S/C11H19NO/c1-4-7-12-9-8-11(2,3)6-5-10(9)13/h4-8H2,1-3H3/b12-9+
InChIKeyBSJLHKVIAXTCMZ-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.62
Rot. Bonds2

About 4,4-dimethyl-2-propyliminocyclohexan-1-one

4,4-dimethyl-2-propyliminocyclohexan-1-one (PubChem CID 57156006) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-propyliminocyclohexan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-propyliminocyclohexan-1-one
PubChem CID57156006
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4,4-dimethyl-2-propyliminocyclohexan-1-one
SMILESCCC/N=C1\CC(C)(C)CCC1=O
InChIInChI=1S/C11H19NO/c1-4-7-12-9-8-11(2,3)6-5-10(9)13/h4-8H2,1-3H3/b12-9+
InChIKeyBSJLHKVIAXTCMZ-FMIVXFBMSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 4,4-dimethyl-2-propyliminocyclohexan-1-one?
The IUPAC name of 4,4-dimethyl-2-propyliminocyclohexan-1-one (CID 57156006) is 4,4-dimethyl-2-propyliminocyclohexan-1-one.
What is the SMILES notation for 4,4-dimethyl-2-propyliminocyclohexan-1-one?
The canonical SMILES for 4,4-dimethyl-2-propyliminocyclohexan-1-one is CCC/N=C1\CC(C)(C)CCC1=O.
What is the InChIKey of 4,4-dimethyl-2-propyliminocyclohexan-1-one?
The InChIKey is BSJLHKVIAXTCMZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-12-9-8-11(2,3)6-5-10(9)13/h4-8H2,1-3H3/b12-9+.
What are the key properties of 4,4-dimethyl-2-propyliminocyclohexan-1-one?
4,4-dimethyl-2-propyliminocyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propyliminocyclohexan-1-one is sourced from PubChem (CID 57156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).