3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one

C11H19NO — CID 91037931

IUPAC3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one
SMILESCC(C)/N=C1\CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-9-5-10(13)7-11(3,4)6-9/h8H,5-7H2,1-4H3/b12-9+
InChIKeyZUSWBHFKGOKJPW-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.62
Rot. Bonds1

About 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one

3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one (PubChem CID 91037931) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one
PubChem CID91037931
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one
SMILESCC(C)/N=C1\CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-9-5-10(13)7-11(3,4)6-9/h8H,5-7H2,1-4H3/b12-9+
InChIKeyZUSWBHFKGOKJPW-FMIVXFBMSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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_1', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(2-Hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
CID 7013254
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one?
The IUPAC name of 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one (CID 91037931) is 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one.
What is the SMILES notation for 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one?
The canonical SMILES for 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one is CC(C)/N=C1\CC(=O)CC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one?
The InChIKey is ZUSWBHFKGOKJPW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)12-9-5-10(13)7-11(3,4)6-9/h8H,5-7H2,1-4H3/b12-9+.
What are the key properties of 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one?
3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propan-2-yliminocyclohexan-1-one is sourced from PubChem (CID 91037931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).