1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C19H35IN4O2 — CID 111672263

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111672263) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• PubChem CID: 111672263
• Molecular Formula: C19H35IN4O2
• Molecular Weight: 478.42 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(C)(O)c1ccco1)NCC(C)N1CCCCC1C.I
• InChI: InChI=1S/C19H34N4O2.HI/c1-5-20-18(22-14-19(4,24)17-10-8-12-25-17)21-13-16(3)23-11-7-6-9-15(23)2;/h8,10,12,15-16,24H,5-7,9,11,13-14H2,1-4H3,(H2,20,21,22);1H
• InChIKey: GAMCCYRVCBXHLL-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 73.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.42
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
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 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111672263) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)(O)c1ccco1)NCC(C)N1CCCCC1C.I.

What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The InChIKey is GAMCCYRVCBXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-5-20-18(22-14-19(4,24)17-10-8-12-25-17)21-13-16(3)23-11-7-6-9-15(23)2;/h8,10,12,15-16,24H,5-7,9,11,13-14H2,1-4H3,(H2,20,21,22);1H.

What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111672263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).