2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid

C14H27NO2 — CID 114991400

IUPAC2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(CC)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-11-14(3,13(16)17)15(5-2)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyJRRWEYRGDQDCOV-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid

2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid (PubChem CID 114991400) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
PubChem CID114991400
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(CC)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-4-11-14(3,13(16)17)15(5-2)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyJRRWEYRGDQDCOV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic 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 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid (CID 114991400) is 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid is CCCC(C)(C(=O)O)N(CC)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid?
The InChIKey is JRRWEYRGDQDCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-11-14(3,13(16)17)15(5-2)12-9-7-6-8-10-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid?
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114991400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).