2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid

C16H24N2O2 — CID 65240734

IUPAC2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid
SMILESCC(c1ccncc1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(14-6-10-17-11-7-14)18(2)16(12-15(19)20)8-4-3-5-9-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyZEYXHZVOJBGNRS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid (PubChem CID 65240734) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid
PubChem CID65240734
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid
SMILESCC(c1ccncc1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(14-6-10-17-11-7-14)18(2)16(12-15(19)20)8-4-3-5-9-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyZEYXHZVOJBGNRS-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
CID 65241026
2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65243108
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
2-[1-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
CID 65243291
2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid
CID 65240981
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 113490296
2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409906
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
CID 65243266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid (CID 65240734) is 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid is CC(c1ccncc1)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid?
The InChIKey is ZEYXHZVOJBGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(14-6-10-17-11-7-14)18(2)16(12-15(19)20)8-4-3-5-9-16/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).