1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide

C19H35IN6O3 — CID 111826878

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 111826878) has the molecular formula C19H35IN6O3 and a molecular weight of 522.43 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
• PubChem CID: 111826878
• Molecular Formula: C19H35IN6O3
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.18
• IUPAC Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCN1C(=O)CNC1=O.I
• InChI: InChI=1S/C19H34N6O3.HI/c1-2-20-17(21-8-9-25-16(26)14-22-18(25)27)23-15-19(6-4-3-5-7-19)24-10-12-28-13-11-24;/h2-15H2,1H3,(H,22,27)(H2,20,21,23);1H
• InChIKey: DTWBWIXJXPKMAF-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 98.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', '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-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide (CID 111826878) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCN1C(=O)CNC1=O.I.

What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The InChIKey is DTWBWIXJXPKMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3.HI/c1-2-20-17(21-8-9-25-16(26)14-22-18(25)27)23-15-19(6-4-3-5-7-19)24-10-12-28-13-11-24;/h2-15H2,1H3,(H,22,27)(H2,20,21,23);1H.

What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 522.43 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111826878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).