2-(2-cyclohexylethylamino)hexanoic acid

C14H27NO2 — CID 103240091

IUPAC2-(2-cyclohexylethylamino)hexanoic acid
SMILESCCCCC(NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-3-9-13(14(16)17)15-11-10-12-7-5-4-6-8-12/h12-13,15H,2-11H2,1H3,(H,16,17)
InChIKeyVZVATUNVAVCTSB-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds8

About 2-(2-cyclohexylethylamino)hexanoic acid

2-(2-cyclohexylethylamino)hexanoic acid (PubChem CID 103240091) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)hexanoic acid
PubChem CID103240091
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(2-cyclohexylethylamino)hexanoic acid
SMILESCCCCC(NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-3-9-13(14(16)17)15-11-10-12-7-5-4-6-8-12/h12-13,15H,2-11H2,1H3,(H,16,17)
InChIKeyVZVATUNVAVCTSB-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
2-(dodecylamino)hexanoic acid
CID 139637216
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylamino)hexanoic acid?
The IUPAC name of 2-(2-cyclohexylethylamino)hexanoic acid (CID 103240091) is 2-(2-cyclohexylethylamino)hexanoic acid.
What is the SMILES notation for 2-(2-cyclohexylethylamino)hexanoic acid?
The canonical SMILES for 2-(2-cyclohexylethylamino)hexanoic acid is CCCCC(NCCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclohexylethylamino)hexanoic acid?
The InChIKey is VZVATUNVAVCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-9-13(14(16)17)15-11-10-12-7-5-4-6-8-12/h12-13,15H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-(2-cyclohexylethylamino)hexanoic acid?
2-(2-cyclohexylethylamino)hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)hexanoic acid is sourced from PubChem (CID 103240091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).