1-(2-cyclohexyliminocyclohexyl)ethanone

C14H23NO — CID 539371

IUPAC1-(2-cyclohexyliminocyclohexyl)ethanone
SMILESCC(=O)C1CCCC/C1=N\C1CCCCC1
InChIInChI=1S/C14H23NO/c1-11(16)13-9-5-6-10-14(13)15-12-7-3-2-4-8-12/h12-13H,2-10H2,1H3/b15-14+
InChIKeyXWPPQFDGJFLPGK-CCEZHUSRSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-cyclohexyliminocyclohexyl)ethanone

1-(2-cyclohexyliminocyclohexyl)ethanone (PubChem CID 539371) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-cyclohexyliminocyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexyliminocyclohexyl)ethanone
PubChem CID539371
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-cyclohexyliminocyclohexyl)ethanone
SMILESCC(=O)C1CCCC/C1=N\C1CCCCC1
InChIInChI=1S/C14H23NO/c1-11(16)13-9-5-6-10-14(13)15-12-7-3-2-4-8-12/h12-13H,2-10H2,1H3/b15-14+
InChIKeyXWPPQFDGJFLPGK-CCEZHUSRSA-N
XLogP3.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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CID 4096510
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CID 91374922
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
2-[N-[6-[1-(2,6-dioxocyclohexyl)butylideneamino]hexyl]-C-propylcarbonimidoyl]cyclohexane-1,3-dione
CID 40731593
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
2-(2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 53683448
2-(2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-yl)-5-propan-2-ylcyclohexane-1,3-dione
CID 53813541
5-Ethyl-2-(4-ethyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexane-1,3-dione
CID 53901885
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyliminocyclohexyl)ethanone?
The IUPAC name of 1-(2-cyclohexyliminocyclohexyl)ethanone (CID 539371) is 1-(2-cyclohexyliminocyclohexyl)ethanone.
What is the SMILES notation for 1-(2-cyclohexyliminocyclohexyl)ethanone?
The canonical SMILES for 1-(2-cyclohexyliminocyclohexyl)ethanone is CC(=O)C1CCCC/C1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyliminocyclohexyl)ethanone?
The InChIKey is XWPPQFDGJFLPGK-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(16)13-9-5-6-10-14(13)15-12-7-3-2-4-8-12/h12-13H,2-10H2,1H3/b15-14+.
What are the key properties of 1-(2-cyclohexyliminocyclohexyl)ethanone?
1-(2-cyclohexyliminocyclohexyl)ethanone has a molecular weight of 221.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyliminocyclohexyl)ethanone is sourced from PubChem (CID 539371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).