4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

C15H21NO2 — CID 113297404

IUPAC4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCc1cncc(C2CC(C)(C)CCC2C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(9-16-8-10)13-7-15(2,3)5-4-12(13)14(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyDRKDBGGPVVJIJX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.38
Rot. Bonds2

About 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (PubChem CID 113297404) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
PubChem CID113297404
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCc1cncc(C2CC(C)(C)CCC2C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(9-16-8-10)13-7-15(2,3)5-4-12(13)14(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyDRKDBGGPVVJIJX-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (CID 113297404) is 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is Cc1cncc(C2CC(C)(C)CCC2C(=O)O)c1.
What is the InChIKey of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The InChIKey is DRKDBGGPVVJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-11(9-16-8-10)13-7-15(2,3)5-4-12(13)14(17)18/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113297404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).