3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid

C14H20N2O2 — CID 63043512

IUPAC3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCc2ccccn2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2,(H,17,18)
InChIKeyFBYGKURQQHAYNM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds5

About 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid

3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 63043512) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
PubChem CID63043512
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCc2ccccn2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2,(H,17,18)
InChIKeyFBYGKURQQHAYNM-UHFFFAOYSA-N
XLogP1.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid (CID 63043512) is 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NCCc2ccccn2)C1.
What is the InChIKey of 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FBYGKURQQHAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2,(H,17,18).
What are the key properties of 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid?
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).