3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride

C₇H₁₃FN₂ — CID 173493861

About 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride

3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride (PubChem CID 173493861) has the molecular formula C₇H₁₃FN₂ and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride.

Molecular Properties

• Compound Name: 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
• PubChem CID: 173493861
• Molecular Formula: C₇H₁₃FN₂
• Molecular Weight: 144.19 g/mol
• Exact Mass: 144.11
• IUPAC Name: 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
• SMILES: CCC(=C(C)N)/C(F)=N/C
• InChI: InChI=1S/C7H13FN2/c1-4-6(5(2)9)7(8)10-3/h4,9H2,1-3H3/b6-5?,10-7-
• InChIKey: GTZPYBKOCIURLS-NMVVBPQGSA-N
• XLogP: 1.63
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	144.19
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride?

The IUPAC name of 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride (CID 173493861) is 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride.

What is the SMILES notation for 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride?

The canonical SMILES for 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride is CCC(=C(C)N)/C(F)=N/C.

What is the InChIKey of 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride?

The InChIKey is GTZPYBKOCIURLS-NMVVBPQGSA-N. The full InChI is InChI=1S/C7H13FN2/c1-4-6(5(2)9)7(8)10-3/h4,9H2,1-3H3/b6-5?,10-7-.

What are the key properties of 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride?

3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride has a molecular weight of 144.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 173493861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173493861 — identifiers, structure, computed properties (public domain)

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