5-cyclohexylimino-3,3-dimethylcyclohexan-1-one

C14H23NO — CID 8025462

IUPAC5-cyclohexylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3/b15-12+
InChIKeyQJAGLQOZJZESRN-NTCAYCPXSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds1

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

5-cyclohexylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 8025462) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cyclohexylimino-3,3-dimethylcyclohexan-1-one
PubChem CID8025462
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-cyclohexylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3/b15-12+
InChIKeyQJAGLQOZJZESRN-NTCAYCPXSA-N
XLogP3.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
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

N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
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
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclopropylimino-3,3-dimethylcyclohexan-1-one
CID 8025300
2-(2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 53683448
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
5,5-Dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexane-1,3-dione
CID 54029308
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one (CID 8025462) is 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CCCCC2)C1.
What is the InChIKey of 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is QJAGLQOZJZESRN-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3/b15-12+.
What are the key properties of 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one?
5-cyclohexylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 221.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 8025462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).