4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid

C14H27NO2 — CID 63068114

IUPAC4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)C(C)C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-9(2)11(4)15(5)13-8-10(3)6-7-12(13)14(16)17/h9-13H,6-8H2,1-5H3,(H,16,17)
InChIKeyLYZBBZUZEMRCNO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.85
Rot. Bonds4

About 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid

4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63068114) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID63068114
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)C(C)C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-9(2)11(4)15(5)13-8-10(3)6-7-12(13)14(16)17/h9-13H,6-8H2,1-5H3,(H,16,17)
InChIKeyLYZBBZUZEMRCNO-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[methyl(3-methylbutan-2-yl)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

Related Compounds

4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 55146906
4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 130663279
4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 55148435
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550
2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996818
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 63068114) is 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N(C)C(C)C(C)C)C1.
What is the InChIKey of 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LYZBBZUZEMRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(2)11(4)15(5)13-8-10(3)6-7-12(13)14(16)17/h9-13H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).