1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid

C14H25NO2 — CID 94882948

IUPAC1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N(C)CC2CCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15(2)10-12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyAJKUZIMOUDNDLO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds4

About 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 94882948) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID94882948
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N(C)CC2CCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15(2)10-12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyAJKUZIMOUDNDLO-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid
CID 114991451
1-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 62856425
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
CID 82238519
1-[acetyl(ethyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513352
1-[cyclobutylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164649621
1-[butyl(methyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988439
1-[formyl(methyl)amino]-3-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 107429324
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
1-[1-(dimethylamino)-4-methylcyclohexyl]but-3-en-1-one
CID 79066766

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 94882948) is 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N(C)CC2CCC2)CC1.
What is the InChIKey of 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is AJKUZIMOUDNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15(2)10-12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 94882948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).