1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine

C19H36N4O2 — CID 111247939

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine

1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine (PubChem CID 111247939) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

• Compound Name: 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
• PubChem CID: 111247939
• Molecular Formula: C19H36N4O2
• Molecular Weight: 352.52 g/mol
• Exact Mass: 352.28
• IUPAC Name: 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
• SMILES: CCN/C(=N\CCCOCc1ccco1)NCCN(C(C)C)C(C)C
• InChI: InChI=1S/C19H36N4O2/c1-6-20-19(22-11-12-23(16(2)3)17(4)5)21-10-8-13-24-15-18-9-7-14-25-18/h7,9,14,16-17H,6,8,10-13,15H2,1-5H3,(H2,20,21,22)
• InChIKey: VYZVJLXBJSXSAI-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 62.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.52
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine?

The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine (CID 111247939) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine.

What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine?

The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\CCCOCc1ccco1)NCCN(C(C)C)C(C)C.

What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine?

The InChIKey is VYZVJLXBJSXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-6-20-19(22-11-12-23(16(2)3)17(4)5)21-10-8-13-24-15-18-9-7-14-25-18/h7,9,14,16-17H,6,8,10-13,15H2,1-5H3,(H2,20,21,22).

What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine?

1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine has a molecular weight of 352.52 g/mol, XLogP of 2.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111247939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).