6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

C15H24FN3O — CID 106711027

IUPAC6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1F
InChIInChI=1S/C15H24FN3O/c1-11-6-7-12(10-13(11)16)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyFDWVMDFKHJHVHM-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.49
Rot. Bonds7

About 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711027) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711027
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1F
InChIInChI=1S/C15H24FN3O/c1-11-6-7-12(10-13(11)16)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyFDWVMDFKHJHVHM-UHFFFAOYSA-N
XLogP3.49
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
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'}

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Related Compounds

5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
CID 106710965
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711517
4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107575376
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
4-(3-fluoro-5-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79049505

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711027) is 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is Cc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is FDWVMDFKHJHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11-6-7-12(10-13(11)16)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 281.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).