1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C23H36IN5O2 — CID 111773031

About 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111773031) has the molecular formula C23H36IN5O2 and a molecular weight of 541.48 g/mol. Its IUPAC name is 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• PubChem CID: 111773031
• Molecular Formula: C23H36IN5O2
• Molecular Weight: 541.48 g/mol
• Exact Mass: 541.19
• IUPAC Name: 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccccc1CN(C)Cc1ccco1)NCCN1CCOCC1.I
• InChI: InChI=1S/C23H35N5O2.HI/c1-3-24-23(25-10-11-28-12-15-29-16-13-28)26-17-20-7-4-5-8-21(20)18-27(2)19-22-9-6-14-30-22;/h4-9,14H,3,10-13,15-19H2,1-2H3,(H2,24,25,26);1H
• InChIKey: NZKMUAVXNRUGGP-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 65.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.48
LogP ≤ 5	2.92
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-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111773031) is 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1CN(C)Cc1ccco1)NCCN1CCOCC1.I.

What is the InChIKey of 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The InChIKey is NZKMUAVXNRUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2.HI/c1-3-24-23(25-10-11-28-12-15-29-16-13-28)26-17-20-7-4-5-8-21(20)18-27(2)19-22-9-6-14-30-22;/h4-9,14H,3,10-13,15-19H2,1-2H3,(H2,24,25,26);1H.

What are the key properties of 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 541.48 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111773031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).