N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

C24H35IN4O2 — CID 110055435

About N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110055435) has the molecular formula C24H35IN4O2 and a molecular weight of 538.47 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
• PubChem CID: 110055435
• Molecular Formula: C24H35IN4O2
• Molecular Weight: 538.47 g/mol
• Exact Mass: 538.18
• IUPAC Name: N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
• SMILES: COc1ccc(CCN/C(=N\CCc2ccco2)N2CCC(N3CCCC3)C2)cc1.I
• InChI: InChI=1S/C24H34N4O2.HI/c1-29-22-8-6-20(7-9-22)10-13-25-24(26-14-11-23-5-4-18-30-23)28-17-12-21(19-28)27-15-2-3-16-27;/h4-9,18,21H,2-3,10-17,19H2,1H3,(H,25,26);1H
• InChIKey: POYCTTNQCICNFB-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 110055435) is N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is COc1ccc(CCN/C(=N\CCc2ccco2)N2CCC(N3CCCC3)C2)cc1.I.

What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?

The InChIKey is POYCTTNQCICNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2.HI/c1-29-22-8-6-20(7-9-22)10-13-25-24(26-14-11-23-5-4-18-30-23)28-17-12-21(19-28)27-15-2-3-16-27;/h4-9,18,21H,2-3,10-17,19H2,1H3,(H,25,26);1H.

What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?

N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 538.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110055435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).