6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

C16H26FN3O — CID 106710866

IUPAC6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCN(CCCCC(C)(C)/C(N)=N/O)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O/c1-4-20(14-9-7-13(17)8-10-14)12-6-5-11-16(2,3)15(18)19-21/h7-10,21H,4-6,11-12H2,1-3H3,(H2,18,19)
InChIKeyQJAINRRFHRFYGG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.59
Rot. Bonds8

About 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710866) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710866
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCN(CCCCC(C)(C)/C(N)=N/O)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O/c1-4-20(14-9-7-13(17)8-10-14)12-6-5-11-16(2,3)15(18)19-21/h7-10,21H,4-6,11-12H2,1-3H3,(H2,18,19)
InChIKeyQJAINRRFHRFYGG-UHFFFAOYSA-N
XLogP3.59
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710866) is 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is CCN(CCCCC(C)(C)/C(N)=N/O)c1ccc(F)cc1.
What is the InChIKey of 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is QJAINRRFHRFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-20(14-9-7-13(17)8-10-14)12-6-5-11-16(2,3)15(18)19-21/h7-10,21H,4-6,11-12H2,1-3H3,(H2,18,19).
What are the key properties of 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 295.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).