5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one

C14H16BrNO — CID 91492565

IUPAC5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\c2ccc(Br)cc2)C1
InChIInChI=1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3/b16-12+
InChIKeyJBMLFYKPKBIUHO-FOWTUZBSSA-N
MW294.19 g/mol
LogP4.30
Rot. Bonds1

About 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one

5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one (PubChem CID 91492565) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one
PubChem CID91492565
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\c2ccc(Br)cc2)C1
InChIInChI=1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3/b16-12+
InChIKeyJBMLFYKPKBIUHO-FOWTUZBSSA-N
XLogP4.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.30
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

4-[(4-Bromophenyl)imino]-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
CID 2870718
2-{1-[(4-Bromophenyl)amino]ethylidene}-5,5-dimethyl-1,3-cyclohexanedione
CID 135438883
Cyclohexanone, 3-(2-fluorophenylimino)-5,5-dimethyl-
CID 601012
5-(4-Fluorophenyl)imino-3,3-dimethylcyclohexan-1-one
CID 872120
3,3-Dimethyl-5-phenyliminocyclohexan-1-one
CID 13525010
N-(4-bromophenyl)-1-cyclohexylethanimine
CID 12176207
3-(4-Bromophenyl)iminobutan-2-one
CID 13028579
2-(4-Bromophenyl)imino-5,5-dimethylcyclohexan-1-one
CID 91130922
(3S)-3-[(4-bromo-N-methylanilino)methyl]-3-methylcyclohexan-1-one
CID 138971920
4-(4-Bromophenyl)iminopentan-2-one
CID 899931
2-Acetyl-3-(4-bromophenyl)imino-5,5-dimethylcyclohexan-1-one
CID 145920884
2-ethenyl-2-methyl-5-(C-methyl-N-phenylcarbonimidoyl)cyclohexan-1-one
CID 57189948

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one (CID 91492565) is 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\c2ccc(Br)cc2)C1.
What is the InChIKey of 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one?
The InChIKey is JBMLFYKPKBIUHO-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-14(2)8-12(7-13(17)9-14)16-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3/b16-12+.
What are the key properties of 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one?
5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one has a molecular weight of 294.19 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 91492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).