1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine

C19H34N4O2 — CID 111663671

About 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine

1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 111663671) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine
• PubChem CID: 111663671
• Molecular Formula: C19H34N4O2
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.27
• IUPAC Name: 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine
• SMILES: CCN/C(=N\CC(C)(O)c1ccc(C)o1)NCC(CC)N1CCCC1
• InChI: InChI=1S/C19H34N4O2/c1-5-16(23-11-7-8-12-23)13-21-18(20-6-2)22-14-19(4,24)17-10-9-15(3)25-17/h9-10,16,24H,5-8,11-14H2,1-4H3,(H2,20,21,22)
• InChIKey: DCZNTBUJZILPFM-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 73.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine?

The IUPAC name of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine (CID 111663671) is 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine.

What is the SMILES notation for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine?

The canonical SMILES for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine is CCN/C(=N\CC(C)(O)c1ccc(C)o1)NCC(CC)N1CCCC1.

What is the InChIKey of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine?

The InChIKey is DCZNTBUJZILPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-5-16(23-11-7-8-12-23)13-21-18(20-6-2)22-14-19(4,24)17-10-9-15(3)25-17/h9-10,16,24H,5-8,11-14H2,1-4H3,(H2,20,21,22).

What are the key properties of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine?

1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 350.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 111663671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).