5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane

C22H33N — CID 169257531

IUPAC5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
SMILESCC.CC(C)c1ccc(-c2ccc(C(C)C(C)(C)C)cn2)cc1
InChIInChI=1S/C20H27N.C2H6/c1-14(2)16-7-9-17(10-8-16)19-12-11-18(13-21-19)15(3)20(4,5)6;1-2/h7-15H,1-6H3;1-2H3
InChIKeyMJRARQJFXDCSFU-UHFFFAOYSA-N
MW311.51 g/mol
LogP7.05
Rot. Bonds3

About 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane

5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane (PubChem CID 169257531) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
PubChem CID169257531
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
SMILESCC.CC(C)c1ccc(-c2ccc(C(C)C(C)(C)C)cn2)cc1
InChIInChI=1S/C20H27N.C2H6/c1-14(2)16-7-9-17(10-8-16)19-12-11-18(13-21-19)15(3)20(4,5)6;1-2/h7-15H,1-6H3;1-2H3
InChIKeyMJRARQJFXDCSFU-UHFFFAOYSA-N
XLogP7.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane 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 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane (CID 169257531) is 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane is CC.CC(C)c1ccc(-c2ccc(C(C)C(C)(C)C)cn2)cc1.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane?
The InChIKey is MJRARQJFXDCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.C2H6/c1-14(2)16-7-9-17(10-8-16)19-12-11-18(13-21-19)15(3)20(4,5)6;1-2/h7-15H,1-6H3;1-2H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane?
5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane has a molecular weight of 311.51 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane is sourced from PubChem (CID 169257531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).