1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide

C22H33IN6O — CID 109402949

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 109402949) has the molecular formula C22H33IN6O and a molecular weight of 524.45 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
• PubChem CID: 109402949
• Molecular Formula: C22H33IN6O
• Molecular Weight: 524.45 g/mol
• Exact Mass: 524.18
• IUPAC Name: 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
• SMILES: C/N=C(\NCc1cccc(N(C)C)n1)NCc1ccccc1CN1CCOCC1.I
• InChI: InChI=1S/C22H32N6O.HI/c1-23-22(25-16-20-9-6-10-21(26-20)27(2)3)24-15-18-7-4-5-8-19(18)17-28-11-13-29-14-12-28;/h4-10H,11-17H2,1-3H3,(H2,23,24,25);1H
• InChIKey: ZGPGMIIEUSLXQJ-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 65.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.45
LogP ≤ 5	2.46
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-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide?

The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide (CID 109402949) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide?

The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide is C/N=C(\NCc1cccc(N(C)C)n1)NCc1ccccc1CN1CCOCC1.I.

What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide?

The InChIKey is ZGPGMIIEUSLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O.HI/c1-23-22(25-16-20-9-6-10-21(26-20)27(2)3)24-15-18-7-4-5-8-19(18)17-28-11-13-29-14-12-28;/h4-10H,11-17H2,1-3H3,(H2,23,24,25);1H.

What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide?

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 524.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 109402949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).