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

C14H27NO2 — CID 114991451

IUPAC4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)N(C)C1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(6-2)15(4)14(13(16)17)9-7-11(3)8-10-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyAPEWJRDMHVFBTJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds5

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

4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114991451) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID114991451
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)N(C)C1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(6-2)15(4)14(13(16)17)9-7-11(3)8-10-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyAPEWJRDMHVFBTJ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(pentan-3-yl)amino]thiane-3-carboxylic acid
CID 114997529
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 94882948
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
CID 82238455
1-[acetyl(ethyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513352
1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
CID 82935062
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 58838583
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
4-methyl-1-pentan-2-ylcyclohexane-1-carboxylic acid
CID 107889004
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid (CID 114991451) is 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid is CCC(CC)N(C)C1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is APEWJRDMHVFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-12(6-2)15(4)14(13(16)17)9-7-11(3)8-10-14/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114991451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).