1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid

C10H19NO2 — CID 82236408

IUPAC1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-11(2)10(9(12)13)7-5-4-6-8-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyOUCBXYPRAIKBLM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.73
Rot. Bonds3

About 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid

1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 82236408) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID82236408
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-11(2)10(9(12)13)7-5-4-6-8-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyOUCBXYPRAIKBLM-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid 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 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 82236408) is 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid is CCN(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OUCBXYPRAIKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-11(2)10(9(12)13)7-5-4-6-8-10/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82236408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).