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

C23H42IN5O3 — CID 111935140

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

2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide (PubChem CID 111935140) has the molecular formula C23H42IN5O3 and a molecular weight of 563.53 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
• PubChem CID: 111935140
• Molecular Formula: C23H42IN5O3
• Molecular Weight: 563.53 g/mol
• Exact Mass: 563.23
• IUPAC Name: 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
• SMILES: C/N=C(\NCC(CC(C)C)N1CCOCC1)NCC(c1ccc(C)o1)N1CCOCC1.I
• InChI: InChI=1S/C23H41N5O3.HI/c1-18(2)15-20(27-7-11-29-12-8-27)16-25-23(24-4)26-17-21(22-6-5-19(3)31-22)28-9-13-30-14-10-28;/h5-6,18,20-21H,7-17H2,1-4H3,(H2,24,25,26);1H
• InChIKey: JGUOFZCTHMDKRL-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 74.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.53
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide (CID 111935140) is 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide.

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

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

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

The InChIKey is JGUOFZCTHMDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O3.HI/c1-18(2)15-20(27-7-11-29-12-8-27)16-25-23(24-4)26-17-21(22-6-5-19(3)31-22)28-9-13-30-14-10-28;/h5-6,18,20-21H,7-17H2,1-4H3,(H2,24,25,26);1H.

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

2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide has a molecular weight of 563.53 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111935140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).