5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine

C17H21N — CID 129022095

IUPAC5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1CC(C)(C)C
InChIInChI=1S/C17H21N/c1-13-10-16(14-8-6-5-7-9-14)18-12-15(13)11-17(2,3)4/h5-10,12H,11H2,1-4H3
InChIKeyJYENLXKAKCVICQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.65
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine

5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine (PubChem CID 129022095) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
PubChem CID129022095
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1CC(C)(C)C
InChIInChI=1S/C17H21N/c1-13-10-16(14-8-6-5-7-9-14)18-12-15(13)11-17(2,3)4/h5-10,12H,11H2,1-4H3
InChIKeyJYENLXKAKCVICQ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine (CID 129022095) is 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine is Cc1cc(-c2ccccc2)ncc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine?
The InChIKey is JYENLXKAKCVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-10-16(14-8-6-5-7-9-14)18-12-15(13)11-17(2,3)4/h5-10,12H,11H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine?
5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine 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 5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine is sourced from PubChem (CID 129022095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).