1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

C₁₁H₂₃F₃N₄O — CID 109473509

About 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473509) has the molecular formula C₁₁H₂₃F₃N₄O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

• Compound Name: 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
• PubChem CID: 109473509
• Molecular Formula: C₁₁H₂₃F₃N₄O
• Molecular Weight: 284.33 g/mol
• Exact Mass: 284.18
• IUPAC Name: 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
• SMILES: C/N=C(\NCCN(C)CCOC)NCCC(F)(F)F
• InChI: InChI=1S/C11H23F3N4O/c1-15-10(16-5-4-11(12,13)14)17-6-7-18(2)8-9-19-3/h4-9H2,1-3H3,(H2,15,16,17)
• InChIKey: CGSOWBCIHIIGTA-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 48.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.33
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?

The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109473509) is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?

The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCN(C)CCOC)NCCC(F)(F)F.

What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?

The InChIKey is CGSOWBCIHIIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-15-10(16-5-4-11(12,13)14)17-6-7-18(2)8-9-19-3/h4-9H2,1-3H3,(H2,15,16,17).

What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?

1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 284.33 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109473509 — identifiers, structure, computed properties (public domain)

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