5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine

C₁₁H₁₅N₃O — CID 142879348

About 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine

5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine (PubChem CID 142879348) has the molecular formula C₁₁H₁₅N₃O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

• Compound Name: 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
• PubChem CID: 142879348
• Molecular Formula: C₁₁H₁₅N₃O
• Molecular Weight: 205.26 g/mol
• Exact Mass: 205.12
• IUPAC Name: 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
• SMILES: C=Cc1cnc(N)c(OC(C)C)c1N=C
• InChI: InChI=1S/C11H15N3O/c1-5-8-6-14-11(12)10(9(8)13-4)15-7(2)3/h5-7H,1,4H2,2-3H3,(H2,12,14)
• InChIKey: WMMADYXYPNKNNO-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 60.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.26
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?

The IUPAC name of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine (CID 142879348) is 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine.

What is the SMILES notation for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?

The canonical SMILES for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine is C=Cc1cnc(N)c(OC(C)C)c1N=C.

What is the InChIKey of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?

The InChIKey is WMMADYXYPNKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-5-8-6-14-11(12)10(9(8)13-4)15-7(2)3/h5-7H,1,4H2,2-3H3,(H2,12,14).

What are the key properties of 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine?

5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 142879348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142879348 — identifiers, structure, computed properties (public domain)

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