1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

C24H43IN6O — CID 111936352

About 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111936352) has the molecular formula C24H43IN6O and a molecular weight of 558.55 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
• PubChem CID: 111936352
• Molecular Formula: C24H43IN6O
• Molecular Weight: 558.55 g/mol
• Exact Mass: 558.25
• IUPAC Name: 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccnc(N2CCCC2)c1)NCC(C(CC)CC)N1CCOCC1.I
• InChI: InChI=1S/C24H42N6O.HI/c1-4-21(5-2)22(29-13-15-31-16-14-29)19-28-24(25-6-3)27-18-20-9-10-26-23(17-20)30-11-7-8-12-30;/h9-10,17,21-22H,4-8,11-16,18-19H2,1-3H3,(H2,25,27,28);1H
• InChIKey: RQDLZBNJALEATO-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 65.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	3.49
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-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111936352) is 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

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

The canonical SMILES for 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccnc(N2CCCC2)c1)NCC(C(CC)CC)N1CCOCC1.I.

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

The InChIKey is RQDLZBNJALEATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O.HI/c1-4-21(5-2)22(29-13-15-31-16-14-29)19-28-24(25-6-3)27-18-20-9-10-26-23(17-20)30-11-7-8-12-30;/h9-10,17,21-22H,4-8,11-16,18-19H2,1-3H3,(H2,25,27,28);1H.

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

1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 558.55 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111936352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).