ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one

C12H25NO2 — CID 142345916

IUPACethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one
SMILESCC.COCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-11(7-8-13-2)9-3-5-10(12)6-4-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHUQWWRGPXUABKP-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.10
Rot. Bonds4

About ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one

ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one (PubChem CID 142345916) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Nameethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one
PubChem CID142345916
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one
SMILESCC.COCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-11(7-8-13-2)9-3-5-10(12)6-4-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHUQWWRGPXUABKP-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-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 ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one (CID 142345916) is ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one is CC.COCCN(C)C1CCC(=O)CC1.
What is the InChIKey of ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is HUQWWRGPXUABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-11(7-8-13-2)9-3-5-10(12)6-4-9;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one?
ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 215.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 142345916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).