1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C22H32IN5O2 — CID 110969929

About 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110969929) has the molecular formula C22H32IN5O2 and a molecular weight of 525.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
• PubChem CID: 110969929
• Molecular Formula: C22H32IN5O2
• Molecular Weight: 525.44 g/mol
• Exact Mass: 525.16
• IUPAC Name: 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccccn1)NCC(c1ccc(OC)cc1)N1CCOCC1.I
• InChI: InChI=1S/C22H31N5O2.HI/c1-3-23-22(25-16-19-6-4-5-11-24-19)26-17-21(27-12-14-29-15-13-27)18-7-9-20(28-2)10-8-18;/h4-11,21H,3,12-17H2,1-2H3,(H2,23,25,26);1H
• InChIKey: AEGJSHVEVCRXBD-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 71.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.44
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110969929) is 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccn1)NCC(c1ccc(OC)cc1)N1CCOCC1.I.

What is the InChIKey of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?

The InChIKey is AEGJSHVEVCRXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.HI/c1-3-23-22(25-16-19-6-4-5-11-24-19)26-17-21(27-12-14-29-15-13-27)18-7-9-20(28-2)10-8-18;/h4-11,21H,3,12-17H2,1-2H3,(H2,23,25,26);1H.

What are the key properties of 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?

1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 525.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110969929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).