1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C24H42IN5O3 — CID 111761792

About 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111761792) has the molecular formula C24H42IN5O3 and a molecular weight of 575.54 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• PubChem CID: 111761792
• Molecular Formula: C24H42IN5O3
• Molecular Weight: 575.54 g/mol
• Exact Mass: 575.23
• IUPAC Name: 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• SMILES: I.c1coc(CCN/C(=N/CC2(N3CCOCC3)CCCCC2)NCCN2CCOCC2)c1
• InChI: InChI=1S/C24H41N5O3.HI/c1-2-7-24(8-3-1,29-14-19-31-20-15-29)21-27-23(25-9-6-22-5-4-16-32-22)26-10-11-28-12-17-30-18-13-28;/h4-5,16H,1-3,6-15,17-21H2,(H2,25,26,27);1H
• InChIKey: FVCXNZYJKRWXLS-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 74.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.54
LogP ≤ 5	2.34
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 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111761792) is 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is I.c1coc(CCN/C(=N/CC2(N3CCOCC3)CCCCC2)NCCN2CCOCC2)c1.

What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The InChIKey is FVCXNZYJKRWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O3.HI/c1-2-7-24(8-3-1,29-14-19-31-20-15-29)21-27-23(25-9-6-22-5-4-16-32-22)26-10-11-28-12-17-30-18-13-28;/h4-5,16H,1-3,6-15,17-21H2,(H2,25,26,27);1H.

What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 575.54 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-yl)ethyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111761792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).