1-(4-iodophenyl)-2-propylguanidine

C₁₀H₁₄IN₃ — CID 62380143

About 1-(4-iodophenyl)-2-propylguanidine

1-(4-iodophenyl)-2-propylguanidine (PubChem CID 62380143) has the molecular formula C₁₀H₁₄IN₃ and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-propylguanidine.

Molecular Properties

• Compound Name: 1-(4-iodophenyl)-2-propylguanidine
• PubChem CID: 62380143
• Molecular Formula: C₁₀H₁₄IN₃
• Molecular Weight: 303.15 g/mol
• Exact Mass: 303.02
• IUPAC Name: 1-(4-iodophenyl)-2-propylguanidine
• SMILES: CCC/N=C(\N)Nc1ccc(I)cc1
• InChI: InChI=1S/C10H14IN3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H3,12,13,14)
• InChIKey: NNAIYRPQPDYWKG-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 50.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.15
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-propylguanidine?

The IUPAC name of 1-(4-iodophenyl)-2-propylguanidine (CID 62380143) is 1-(4-iodophenyl)-2-propylguanidine.

What is the SMILES notation for 1-(4-iodophenyl)-2-propylguanidine?

The canonical SMILES for 1-(4-iodophenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(I)cc1.

What is the InChIKey of 1-(4-iodophenyl)-2-propylguanidine?

The InChIKey is NNAIYRPQPDYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H3,12,13,14).

What are the key properties of 1-(4-iodophenyl)-2-propylguanidine?

1-(4-iodophenyl)-2-propylguanidine has a molecular weight of 303.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-iodophenyl)-2-propylguanidine is sourced from PubChem (CID 62380143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62380143 — identifiers, structure, computed properties (public domain)

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