3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid

C14H20N2O2 — CID 65066385

IUPAC3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC1CCCC(C(=O)O)C1)c1ccncc1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(9-13)14(17)18/h5-8,10,12-13,16H,2-4,9H2,1H3,(H,17,18)
InChIKeyINLIQTIJJWVHSI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds4

About 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid

3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 65066385) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
PubChem CID65066385
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC1CCCC(C(=O)O)C1)c1ccncc1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(9-13)14(17)18/h5-8,10,12-13,16H,2-4,9H2,1H3,(H,17,18)
InChIKeyINLIQTIJJWVHSI-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid (CID 65066385) is 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid is CC(NC1CCCC(C(=O)O)C1)c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is INLIQTIJJWVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(9-13)14(17)18/h5-8,10,12-13,16H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid?
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).