3-(2-ethylhexylimino)cyclohexan-1-one

C14H25NO — CID 123888977

IUPAC3-(2-ethylhexylimino)cyclohexan-1-one
SMILESCCCCC(CC)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h12H,3-11H2,1-2H3/b15-13+
InChIKeyPHDYAWLDCFDCBR-FYWRMAATSA-N
MW223.36 g/mol
LogP3.79
Rot. Bonds6

About 3-(2-ethylhexylimino)cyclohexan-1-one

3-(2-ethylhexylimino)cyclohexan-1-one (PubChem CID 123888977) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(2-ethylhexylimino)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-ethylhexylimino)cyclohexan-1-one
PubChem CID123888977
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(2-ethylhexylimino)cyclohexan-1-one
SMILESCCCCC(CC)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h12H,3-11H2,1-2H3/b15-13+
InChIKeyPHDYAWLDCFDCBR-FYWRMAATSA-N
XLogP3.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.79
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

2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
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 3-(2-ethylhexylimino)cyclohexan-1-one?
The IUPAC name of 3-(2-ethylhexylimino)cyclohexan-1-one (CID 123888977) is 3-(2-ethylhexylimino)cyclohexan-1-one.
What is the SMILES notation for 3-(2-ethylhexylimino)cyclohexan-1-one?
The canonical SMILES for 3-(2-ethylhexylimino)cyclohexan-1-one is CCCCC(CC)C/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-(2-ethylhexylimino)cyclohexan-1-one?
The InChIKey is PHDYAWLDCFDCBR-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h12H,3-11H2,1-2H3/b15-13+.
What are the key properties of 3-(2-ethylhexylimino)cyclohexan-1-one?
3-(2-ethylhexylimino)cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylimino)cyclohexan-1-one is sourced from PubChem (CID 123888977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).