2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine

C₁₈H₂₁N — CID 156882081

About 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine

2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine (PubChem CID 156882081) has the molecular formula C₁₈H₂₁N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
• PubChem CID: 156882081
• Molecular Formula: C₁₈H₂₁N
• Molecular Weight: 251.37 g/mol
• Exact Mass: 251.17
• IUPAC Name: 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
• SMILES: C=C(C)c1ccccc1CC(C)c1ccc(C)nc1
• InChI: InChI=1S/C18H21N/c1-13(2)18-8-6-5-7-16(18)11-14(3)17-10-9-15(4)19-12-17/h5-10,12,14H,1,11H2,2-4H3
• InChIKey: VETXDVSDKGSTQJ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.37
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?

The IUPAC name of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine (CID 156882081) is 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine.

What is the SMILES notation for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?

The canonical SMILES for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine is C=C(C)c1ccccc1CC(C)c1ccc(C)nc1.

What is the InChIKey of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?

The InChIKey is VETXDVSDKGSTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)18-8-6-5-7-16(18)11-14(3)17-10-9-15(4)19-12-17/h5-10,12,14H,1,11H2,2-4H3.

What are the key properties of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?

2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 156882081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156882081 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.