3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine

C11H19N — CID 155452964

IUPAC3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine
SMILESCC1=CCC(C)(CC(C)C)C=N1
InChIInChI=1S/C11H19N/c1-9(2)7-11(4)6-5-10(3)12-8-11/h5,8-9H,6-7H2,1-4H3
InChIKeyJJOQWFCXCMEXDT-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds2

About 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine

3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine (PubChem CID 155452964) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine.

Molecular Properties

Compound Name3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine
PubChem CID155452964
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine
SMILESCC1=CCC(C)(CC(C)C)C=N1
InChIInChI=1S/C11H19N/c1-9(2)7-11(4)6-5-10(3)12-8-11/h5,8-9H,6-7H2,1-4H3
InChIKeyJJOQWFCXCMEXDT-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine 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 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine?
The IUPAC name of 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine (CID 155452964) is 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine.
What is the SMILES notation for 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine?
The canonical SMILES for 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine is CC1=CCC(C)(CC(C)C)C=N1.
What is the InChIKey of 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine?
The InChIKey is JJOQWFCXCMEXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-11(4)6-5-10(3)12-8-11/h5,8-9H,6-7H2,1-4H3.
What are the key properties of 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine?
3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine is sourced from PubChem (CID 155452964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).