(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride

C6H11FN2 — CID 153364125

IUPAC(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride
SMILESCCC(=C/N)/C(F)=N/C
InChIInChI=1S/C6H11FN2/c1-3-5(4-8)6(7)9-2/h4H,3,8H2,1-2H3/b5-4-,9-6-
InChIKeyXKHIZAIPMRGCFV-WXOLFVLTSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds2

About (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride

(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride (PubChem CID 153364125) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride
PubChem CID153364125
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride
SMILESCCC(=C/N)/C(F)=N/C
InChIInChI=1S/C6H11FN2/c1-3-5(4-8)6(7)9-2/h4H,3,8H2,1-2H3/b5-4-,9-6-
InChIKeyXKHIZAIPMRGCFV-WXOLFVLTSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
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 (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride?
The IUPAC name of (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride (CID 153364125) is (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride?
The canonical SMILES for (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride is CCC(=C/N)/C(F)=N/C.
What is the InChIKey of (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride?
The InChIKey is XKHIZAIPMRGCFV-WXOLFVLTSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-5(4-8)6(7)9-2/h4H,3,8H2,1-2H3/b5-4-,9-6-.
What are the key properties of (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride?
(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride has a molecular weight of 130.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride is sourced from PubChem (CID 153364125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).