1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide

C23H35IN4O2 — CID 111199167

About 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide

1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide (PubChem CID 111199167) has the molecular formula C23H35IN4O2 and a molecular weight of 526.46 g/mol. Its IUPAC name is 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
• PubChem CID: 111199167
• Molecular Formula: C23H35IN4O2
• Molecular Weight: 526.46 g/mol
• Exact Mass: 526.18
• IUPAC Name: 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCCc1ccccc1.I
• InChI: InChI=1S/C23H34N4O2.HI/c1-3-24-23(25-13-7-10-20-8-5-4-6-9-20)26-18-21(22-12-11-19(2)29-22)27-14-16-28-17-15-27;/h4-6,8-9,11-12,21H,3,7,10,13-18H2,1-2H3,(H2,24,25,26);1H
• InChIKey: PDTXFMOJLSCVGT-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 62.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide (CID 111199167) is 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCCc1ccccc1.I.

What is the InChIKey of 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide?

The InChIKey is PDTXFMOJLSCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.HI/c1-3-24-23(25-13-7-10-20-8-5-4-6-9-20)26-18-21(22-12-11-19(2)29-22)27-14-16-28-17-15-27;/h4-6,8-9,11-12,21H,3,7,10,13-18H2,1-2H3,(H2,24,25,26);1H.

What are the key properties of 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide?

1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide has a molecular weight of 526.46 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).