2-tert-butyl-4-(3-methylpentan-3-yl)pyridine

C15H25N — CID 71154792

IUPAC2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
SMILESCCC(C)(CC)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-7-15(6,8-2)12-9-10-16-13(11-12)14(3,4)5/h9-11H,7-8H2,1-6H3
InChIKeyLBKWDRNATIYNOX-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.46
Rot. Bonds3

About 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine

2-tert-butyl-4-(3-methylpentan-3-yl)pyridine (PubChem CID 71154792) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
PubChem CID71154792
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
SMILESCCC(C)(CC)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-7-15(6,8-2)12-9-10-16-13(11-12)14(3,4)5/h9-11H,7-8H2,1-6H3
InChIKeyLBKWDRNATIYNOX-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-(3-methylpentan-3-yl)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 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine?
The IUPAC name of 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine (CID 71154792) is 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine?
The canonical SMILES for 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine is CCC(C)(CC)c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine?
The InChIKey is LBKWDRNATIYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-7-15(6,8-2)12-9-10-16-13(11-12)14(3,4)5/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine?
2-tert-butyl-4-(3-methylpentan-3-yl)pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-methylpentan-3-yl)pyridine is sourced from PubChem (CID 71154792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).