4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid

C14H20N2O2 — CID 115149112

IUPAC4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccn1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-9-15-12)13-7-5-11(6-8-13)14(17)18/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18)
InChIKeyDUIILFHJXWOALZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds4

About 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid

4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115149112) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115149112
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccn1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-9-15-12)13-7-5-11(6-8-13)14(17)18/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18)
InChIKeyDUIILFHJXWOALZ-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858938
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid (CID 115149112) is 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid is CN(Cc1ccccn1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DUIILFHJXWOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-9-15-12)13-7-5-11(6-8-13)14(17)18/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).