2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride

C7H13FN2 — CID 147306401

IUPAC2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
SMILESC/N=C(\F)C(=CN)C(C)C
InChIInChI=1S/C7H13FN2/c1-5(2)6(4-9)7(8)10-3/h4-5H,9H2,1-3H3/b6-4?,10-7-
InChIKeyRJSRTGRRTBOSLT-MNMBIJGZSA-N
MW144.19 g/mol
LogP1.48
Rot. Bonds2

About 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride

2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride (PubChem CID 147306401) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride.

Molecular Properties

Compound Name2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
PubChem CID147306401
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
SMILESC/N=C(\F)C(=CN)C(C)C
InChIInChI=1S/C7H13FN2/c1-5(2)6(4-9)7(8)10-3/h4-5H,9H2,1-3H3/b6-4?,10-7-
InChIKeyRJSRTGRRTBOSLT-MNMBIJGZSA-N
XLogP1.48
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 ≤ 51.48
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 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride?
The IUPAC name of 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride (CID 147306401) is 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride.
What is the SMILES notation for 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride?
The canonical SMILES for 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride is C/N=C(\F)C(=CN)C(C)C.
What is the InChIKey of 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride?
The InChIKey is RJSRTGRRTBOSLT-MNMBIJGZSA-N. The full InChI is InChI=1S/C7H13FN2/c1-5(2)6(4-9)7(8)10-3/h4-5H,9H2,1-3H3/b6-4?,10-7-.
What are the key properties of 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride?
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride has a molecular weight of 144.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride is sourced from PubChem (CID 147306401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).