1-(2-propylpentanimidoyl)pyridin-2-imine

C₁₃H₂₁N₃ — CID 168893821

About 1-(2-propylpentanimidoyl)pyridin-2-imine

1-(2-propylpentanimidoyl)pyridin-2-imine (PubChem CID 168893821) has the molecular formula C₁₃H₂₁N₃ and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-propylpentanimidoyl)pyridin-2-imine.

Molecular Properties

• Compound Name: 1-(2-propylpentanimidoyl)pyridin-2-imine
• PubChem CID: 168893821
• Molecular Formula: C₁₃H₂₁N₃
• Molecular Weight: 219.33 g/mol
• Exact Mass: 219.17
• IUPAC Name: 1-(2-propylpentanimidoyl)pyridin-2-imine
• SMILES: [H]/N=C(\C(CCC)CCC)n1cccc/c1=N\[H]
• InChI: InChI=1S/C13H21N3/c1-3-7-11(8-4-2)13(15)16-10-6-5-9-12(16)14/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3/b14-12+,15-13+
• InChIKey: ZUVVFINIDSBEQH-QUMQEAAQSA-N
• XLogP: 3.01
• TPSA: 52.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.33
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpentanimidoyl)pyridin-2-imine?

The IUPAC name of 1-(2-propylpentanimidoyl)pyridin-2-imine (CID 168893821) is 1-(2-propylpentanimidoyl)pyridin-2-imine.

What is the SMILES notation for 1-(2-propylpentanimidoyl)pyridin-2-imine?

The canonical SMILES for 1-(2-propylpentanimidoyl)pyridin-2-imine is [H]/N=C(\C(CCC)CCC)n1cccc/c1=N\[H].

What is the InChIKey of 1-(2-propylpentanimidoyl)pyridin-2-imine?

The InChIKey is ZUVVFINIDSBEQH-QUMQEAAQSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-7-11(8-4-2)13(15)16-10-6-5-9-12(16)14/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3/b14-12+,15-13+.

What are the key properties of 1-(2-propylpentanimidoyl)pyridin-2-imine?

1-(2-propylpentanimidoyl)pyridin-2-imine has a molecular weight of 219.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-propylpentanimidoyl)pyridin-2-imine is sourced from PubChem (CID 168893821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168893821 — identifiers, structure, computed properties (public domain)

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