1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine

C₁₉H₂₁N₇ — CID 68863734

About 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine

1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (PubChem CID 68863734) has the molecular formula C₁₉H₂₁N₇ and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.

Molecular Properties

• Compound Name: 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
• PubChem CID: 68863734
• Molecular Formula: C₁₉H₂₁N₇
• Molecular Weight: 347.43 g/mol
• Exact Mass: 347.19
• IUPAC Name: 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
• SMILES: CCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
• InChI: InChI=1S/C19H21N7/c1-2-25(22-13-5-6-14-22)19(20-21-11-3-4-12-21)26(23-15-7-8-16-23)24-17-9-10-18-24/h3-18H,2H2,1H3
• InChIKey: IUOOTCNJOJOLIS-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 38.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.43
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?

The IUPAC name of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (CID 68863734) is 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.

What is the SMILES notation for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?

The canonical SMILES for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is CCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1.

What is the InChIKey of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?

The InChIKey is IUOOTCNJOJOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-25(22-13-5-6-14-22)19(20-21-11-3-4-12-21)26(23-15-7-8-16-23)24-17-9-10-18-24/h3-18H,2H2,1H3.

What are the key properties of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?

1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine has a molecular weight of 347.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is sourced from PubChem (CID 68863734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 68863734 — identifiers, structure, computed properties (public domain)

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