4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid

C14H27NO2 — CID 65248233

IUPAC4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15(12-8-6-5-7-9-12)11-10-14(2,3)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDREPNZLFJJHFEG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds6

About 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid

4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 65248233) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
PubChem CID65248233
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15(12-8-6-5-7-9-12)11-10-14(2,3)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDREPNZLFJJHFEG-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248437
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66455311
4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66453368
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
4-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)butan-1-ol
CID 64797056
N,N-diethylcycloundecanamine
CID 163828609
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
CID 141089357
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid (CID 65248233) is 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid is CCN(CCC(C)(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is DREPNZLFJJHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-15(12-8-6-5-7-9-12)11-10-14(2,3)13(16)17/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid?
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).