3,4-di(propan-2-yl)-1,2-dihydropyridine

C₁₁H₁₉N — CID 23393312

About 3,4-di(propan-2-yl)-1,2-dihydropyridine

3,4-di(propan-2-yl)-1,2-dihydropyridine (PubChem CID 23393312) has the molecular formula C₁₁H₁₉N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-dihydropyridine.

Molecular Properties

• Compound Name: 3,4-di(propan-2-yl)-1,2-dihydropyridine
• PubChem CID: 23393312
• Molecular Formula: C₁₁H₁₉N
• Molecular Weight: 165.28 g/mol
• Exact Mass: 165.15
• IUPAC Name: 3,4-di(propan-2-yl)-1,2-dihydropyridine
• SMILES: CC(C)C1=C(C(C)C)CNC=C1
• InChI: InChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8-9,12H,7H2,1-4H3
• InChIKey: TZGCCMWJCUKJEF-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.28
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydropyridine?

The IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydropyridine (CID 23393312) is 3,4-di(propan-2-yl)-1,2-dihydropyridine.

What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-dihydropyridine?

The canonical SMILES for 3,4-di(propan-2-yl)-1,2-dihydropyridine is CC(C)C1=C(C(C)C)CNC=C1.

What is the InChIKey of 3,4-di(propan-2-yl)-1,2-dihydropyridine?

The InChIKey is TZGCCMWJCUKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8-9,12H,7H2,1-4H3.

What are the key properties of 3,4-di(propan-2-yl)-1,2-dihydropyridine?

3,4-di(propan-2-yl)-1,2-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-di(propan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 23393312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23393312 — identifiers, structure, computed properties (public domain)

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