2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid

C15H22N2O2 — CID 81021216

IUPAC2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1
InChIInChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCDPJECKWIVALB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid

2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 81021216) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID81021216
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1
InChIInChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCDPJECKWIVALB-UHFFFAOYSA-N
XLogP2.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methyl-3-pyridinyl)-4-tert-butylcyclohexane-1-carboxylic acid
CID 81013735
2-(2,6-difluoro-3-methylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 82828589
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300
4-ethyl-2-(2-methoxy-3,4-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 103434649
4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 113297402
4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021302
2-(4-tert-butylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013243
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
CID 116546370
2-(2-chloro-5-fluorophenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 105396241
2-(3-ethylcyclopentyl)pyrimidine-4-carboxylic acid
CID 65405640
2-(3,4-dimethylphenyl)sulfanyl-4-ethylcyclohexane-1-carboxylic acid
CID 63529645
3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
CID 65392904

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid (CID 81021216) is 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1.
What is the InChIKey of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is ZCDPJECKWIVALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).