1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

C20H38IN5O2 — CID 111020744

About 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111020744) has the molecular formula C20H38IN5O2 and a molecular weight of 507.46 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
• PubChem CID: 111020744
• Molecular Formula: C20H38IN5O2
• Molecular Weight: 507.46 g/mol
• Exact Mass: 507.21
• IUPAC Name: 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccco1)N(CC)CC.I
• InChI: InChI=1S/C20H37N5O2.HI/c1-5-21-20(22-15-17(4)25-10-13-26-14-11-25)23-16-18(24(6-2)7-3)19-9-8-12-27-19;/h8-9,12,17-18H,5-7,10-11,13-16H2,1-4H3,(H2,21,22,23);1H
• InChIKey: QHUOQPNLRGJDPF-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 65.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	2.56
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-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111020744) is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccco1)N(CC)CC.I.

What is the InChIKey of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The InChIKey is QHUOQPNLRGJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2.HI/c1-5-21-20(22-15-17(4)25-10-13-26-14-11-25)23-16-18(24(6-2)7-3)19-9-8-12-27-19;/h8-9,12,17-18H,5-7,10-11,13-16H2,1-4H3,(H2,21,22,23);1H.

What are the key properties of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 507.46 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111020744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).