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

C7H13FN2 — CID 173493861

IUPAC3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
SMILESCCC(=C(C)N)/C(F)=N/C
InChIInChI=1S/C7H13FN2/c1-4-6(5(2)9)7(8)10-3/h4,9H2,1-3H3/b6-5?,10-7-
InChIKeyGTZPYBKOCIURLS-NMVVBPQGSA-N
MW144.19 g/mol
LogP1.63
Rot. Bonds2

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 Name3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
PubChem CID173493861
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
SMILESCCC(=C(C)N)/C(F)=N/C
InChIInChI=1S/C7H13FN2/c1-4-6(5(2)9)7(8)10-3/h4,9H2,1-3H3/b6-5?,10-7-
InChIKeyGTZPYBKOCIURLS-NMVVBPQGSA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).