3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

C14H20N2O2 — CID 112650858

IUPAC3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(8-12)14(17)18/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyCXLMHQZRNIGULP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds4

About 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 112650858) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID112650858
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(8-12)14(17)18/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyCXLMHQZRNIGULP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (CID 112650858) is 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is Cc1cccnc1CNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CXLMHQZRNIGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(8-12)14(17)18/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112650858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).