N-(7-methyloctyl)pyridazin-3-amine

C₁₃H₂₃N₃ — CID 107816275

About N-(7-methyloctyl)pyridazin-3-amine

N-(7-methyloctyl)pyridazin-3-amine (PubChem CID 107816275) has the molecular formula C₁₃H₂₃N₃ and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(7-methyloctyl)pyridazin-3-amine.

Molecular Properties

• Compound Name: N-(7-methyloctyl)pyridazin-3-amine
• PubChem CID: 107816275
• Molecular Formula: C₁₃H₂₃N₃
• Molecular Weight: 221.35 g/mol
• Exact Mass: 221.19
• IUPAC Name: N-(7-methyloctyl)pyridazin-3-amine
• SMILES: CC(C)CCCCCCNc1cccnn1
• InChI: InChI=1S/C13H23N3/c1-12(2)8-5-3-4-6-10-14-13-9-7-11-15-16-13/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,16)
• InChIKey: SMKQBSVETYUQQL-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.35
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)pyridazin-3-amine?

The IUPAC name of N-(7-methyloctyl)pyridazin-3-amine (CID 107816275) is N-(7-methyloctyl)pyridazin-3-amine.

What is the SMILES notation for N-(7-methyloctyl)pyridazin-3-amine?

The canonical SMILES for N-(7-methyloctyl)pyridazin-3-amine is CC(C)CCCCCCNc1cccnn1.

What is the InChIKey of N-(7-methyloctyl)pyridazin-3-amine?

The InChIKey is SMKQBSVETYUQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)8-5-3-4-6-10-14-13-9-7-11-15-16-13/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,14,16).

What are the key properties of N-(7-methyloctyl)pyridazin-3-amine?

N-(7-methyloctyl)pyridazin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-methyloctyl)pyridazin-3-amine is sourced from PubChem (CID 107816275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107816275 — identifiers, structure, computed properties (public domain)

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