1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine

C18H32N4O2 — CID 111663581

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine

1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine (PubChem CID 111663581) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine.

Molecular Properties

• Compound Name: 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine
• PubChem CID: 111663581
• Molecular Formula: C18H32N4O2
• Molecular Weight: 336.48 g/mol
• Exact Mass: 336.25
• IUPAC Name: 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine
• SMILES: CCN/C(=N\CC(C)(O)c1ccc(C)o1)NCC(C)N(C)C1CC1
• InChI: InChI=1S/C18H32N4O2/c1-6-19-17(20-11-13(2)22(5)15-8-9-15)21-12-18(4,23)16-10-7-14(3)24-16/h7,10,13,15,23H,6,8-9,11-12H2,1-5H3,(H2,19,20,21)
• InChIKey: KWMIEXJKAUNDST-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 73.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.48
LogP ≤ 5	1.83
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-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine?

The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine (CID 111663581) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine.

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

The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine is CCN/C(=N\CC(C)(O)c1ccc(C)o1)NCC(C)N(C)C1CC1.

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

The InChIKey is KWMIEXJKAUNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-6-19-17(20-11-13(2)22(5)15-8-9-15)21-12-18(4,23)16-10-7-14(3)24-16/h7,10,13,15,23H,6,8-9,11-12H2,1-5H3,(H2,19,20,21).

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

1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine has a molecular weight of 336.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine is sourced from PubChem (CID 111663581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).