1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide

C27H34IN5O — CID 109389339

About 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide

1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 109389339) has the molecular formula C27H34IN5O and a molecular weight of 571.51 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
• PubChem CID: 109389339
• Molecular Formula: C27H34IN5O
• Molecular Weight: 571.51 g/mol
• Exact Mass: 571.18
• IUPAC Name: 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
• SMILES: C/N=C(/NCc1cccnc1N1CCOCC1)NCC(Cc1ccccc1)c1ccccc1.I
• InChI: InChI=1S/C27H33N5O.HI/c1-28-27(30-20-24-13-8-14-29-26(24)32-15-17-33-18-16-32)31-21-25(23-11-6-3-7-12-23)19-22-9-4-2-5-10-22;/h2-14,25H,15-21H2,1H3,(H2,28,30,31);1H
• InChIKey: IUFCMACDNYRYDB-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 61.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.51
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 109389339) is 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?

The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide is C/N=C(/NCc1cccnc1N1CCOCC1)NCC(Cc1ccccc1)c1ccccc1.I.

What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?

The InChIKey is IUFCMACDNYRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O.HI/c1-28-27(30-20-24-13-8-14-29-26(24)32-15-17-33-18-16-32)31-21-25(23-11-6-3-7-12-23)19-22-9-4-2-5-10-22;/h2-14,25H,15-21H2,1H3,(H2,28,30,31);1H.

What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide?

1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 571.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109389339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).