5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one

C11H19NO2 — CID 7544791

IUPAC5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one
SMILESCOCC/N=C1\CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-11(2)7-9(6-10(13)8-11)12-4-5-14-3/h4-8H2,1-3H3/b12-9+
InChIKeyAMMCXZYLDZPJTD-FMIVXFBMSA-N
MW197.28 g/mol
LogP1.85
Rot. Bonds3

About 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one

5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one (PubChem CID 7544791) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one
PubChem CID7544791
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one
SMILESCOCC/N=C1\CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-11(2)7-9(6-10(13)8-11)12-4-5-14-3/h4-8H2,1-3H3/b12-9+
InChIKeyAMMCXZYLDZPJTD-FMIVXFBMSA-N
XLogP1.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one (CID 7544791) is 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one is COCC/N=C1\CC(=O)CC(C)(C)C1.
What is the InChIKey of 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one?
The InChIKey is AMMCXZYLDZPJTD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)7-9(6-10(13)8-11)12-4-5-14-3/h4-8H2,1-3H3/b12-9+.
What are the key properties of 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one?
5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylimino)-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 7544791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).