4,4-dimethyl-3-methyliminocyclohexan-1-one

C9H15NO — CID 57197434

IUPAC4,4-dimethyl-3-methyliminocyclohexan-1-one
SMILESC/N=C1\CC(=O)CCC1(C)C
InChIInChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-6H2,1-3H3/b10-8+
InChIKeyXVWLFAAAVRFWEE-CSKARUKUSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds

About 4,4-dimethyl-3-methyliminocyclohexan-1-one

4,4-dimethyl-3-methyliminocyclohexan-1-one (PubChem CID 57197434) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,4-dimethyl-3-methyliminocyclohexan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-3-methyliminocyclohexan-1-one
PubChem CID57197434
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,4-dimethyl-3-methyliminocyclohexan-1-one
SMILESC/N=C1\CC(=O)CCC1(C)C
InChIInChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-6H2,1-3H3/b10-8+
InChIKeyXVWLFAAAVRFWEE-CSKARUKUSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
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
Methonoxim
CID 85886409
(5z)-3,3-Dimethyl-5-(methylimino)cyclohexanone
CID 238695
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
5,5-Di-methylcyclohexane-1,3-dione hydrazone
CID 129872963
(5E)-5-(dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 6380817
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
5,5-Dimethyl-3-methylimino-2-pentanoylcyclohexan-1-one
CID 28469096
5-(Dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 314886
(5Z)-5-(dimethylhydrazinylidene)-3,3-dimethylcyclohexan-1-one
CID 5358211
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclopropylimino-3,3-dimethylcyclohexan-1-one
CID 8025300

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methyliminocyclohexan-1-one?
The IUPAC name of 4,4-dimethyl-3-methyliminocyclohexan-1-one (CID 57197434) is 4,4-dimethyl-3-methyliminocyclohexan-1-one.
What is the SMILES notation for 4,4-dimethyl-3-methyliminocyclohexan-1-one?
The canonical SMILES for 4,4-dimethyl-3-methyliminocyclohexan-1-one is C/N=C1\CC(=O)CCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-methyliminocyclohexan-1-one?
The InChIKey is XVWLFAAAVRFWEE-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-6H2,1-3H3/b10-8+.
What are the key properties of 4,4-dimethyl-3-methyliminocyclohexan-1-one?
4,4-dimethyl-3-methyliminocyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methyliminocyclohexan-1-one is sourced from PubChem (CID 57197434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).