3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine

C17H21N — CID 91541835

IUPAC3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
SMILESCc1cc(CC(C)(C)C)ccc1-c1cccnc1
InChIInChI=1S/C17H21N/c1-13-10-14(11-17(2,3)4)7-8-16(13)15-6-5-9-18-12-15/h5-10,12H,11H2,1-4H3
InChIKeyVVEJPULYTYQJMI-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.65
Rot. Bonds2

About 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine

3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine (PubChem CID 91541835) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
PubChem CID91541835
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
SMILESCc1cc(CC(C)(C)C)ccc1-c1cccnc1
InChIInChI=1S/C17H21N/c1-13-10-14(11-17(2,3)4)7-8-16(13)15-6-5-9-18-12-15/h5-10,12H,11H2,1-4H3
InChIKeyVVEJPULYTYQJMI-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-(2-methylphenyl)pyridine
CID 4133191
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
3-methyl-2-(3-methyl-4-pyridin-3-ylphenyl)-5-pyridin-3-ylpyridine
CID 102045011
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine?
The IUPAC name of 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine (CID 91541835) is 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine.
What is the SMILES notation for 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine?
The canonical SMILES for 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine is Cc1cc(CC(C)(C)C)ccc1-c1cccnc1.
What is the InChIKey of 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine?
The InChIKey is VVEJPULYTYQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-10-14(11-17(2,3)4)7-8-16(13)15-6-5-9-18-12-15/h5-10,12H,11H2,1-4H3.
What are the key properties of 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine?
3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine has a molecular weight of 239.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine is sourced from PubChem (CID 91541835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).