5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine

C18H23N — CID 130444074

IUPAC5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine
SMILESCc1cc(-c2ccccc2C)ncc1CC(C)(C)C
InChIInChI=1S/C18H23N/c1-13-8-6-7-9-16(13)17-10-14(2)15(12-19-17)11-18(3,4)5/h6-10,12H,11H2,1-5H3
InChIKeyPWAAULSXZXPITB-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.95
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine

5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine (PubChem CID 130444074) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine
PubChem CID130444074
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine
SMILESCc1cc(-c2ccccc2C)ncc1CC(C)(C)C
InChIInChI=1S/C18H23N/c1-13-8-6-7-9-16(13)17-10-14(2)15(12-19-17)11-18(3,4)5/h6-10,12H,11H2,1-5H3
InChIKeyPWAAULSXZXPITB-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine (CID 130444074) is 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine is Cc1cc(-c2ccccc2C)ncc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine?
The InChIKey is PWAAULSXZXPITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-8-6-7-9-16(13)17-10-14(2)15(12-19-17)11-18(3,4)5/h6-10,12H,11H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine?
5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-methyl-2-(2-methylphenyl)pyridine is sourced from PubChem (CID 130444074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).