Isobutylidene-4-aminomethylpyridine

C₁₀H₁₆N₂ — CID 70542795

About Isobutylidene-4-aminomethylpyridine

Isobutylidene-4-aminomethylpyridine (PubChem CID 70542795) has the molecular formula C₁₀H₁₆N₂ and a molecular weight of 164.25 g/mol. Its IUPAC name is [2-(2-methylpropylidene)-1H-pyridin-4-yl]methanamine.

Molecular Properties

• Compound Name: Isobutylidene-4-aminomethylpyridine
• PubChem CID: 70542795
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25 g/mol
• Exact Mass: 164.13
• IUPAC Name: [2-(2-methylpropylidene)-1H-pyridin-4-yl]methanamine
• SMILES: CC(C)C=C1C=C(CN)C=CN1
• InChI: InChI=1S/C10H16N2/c1-8(2)5-10-6-9(7-11)3-4-12-10/h3-6,8,12H,7,11H2,1-2H3
• InChIKey: VWMFGVOAULBFTC-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	164.25
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Isobutylidene-4-aminomethylpyridine?

The IUPAC name of Isobutylidene-4-aminomethylpyridine (CID 70542795) is [2-(2-methylpropylidene)-1H-pyridin-4-yl]methanamine.

What is the SMILES notation for Isobutylidene-4-aminomethylpyridine?

The canonical SMILES for Isobutylidene-4-aminomethylpyridine is CC(C)C=C1C=C(CN)C=CN1.

What is the InChIKey of Isobutylidene-4-aminomethylpyridine?

The InChIKey is VWMFGVOAULBFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)5-10-6-9(7-11)3-4-12-10/h3-6,8,12H,7,11H2,1-2H3.

What are the key properties of Isobutylidene-4-aminomethylpyridine?

Isobutylidene-4-aminomethylpyridine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Isobutylidene-4-aminomethylpyridine is sourced from PubChem (CID 70542795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70542795 — identifiers, structure, computed properties (public domain)

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