6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

C16H26FN3O — CID 106710715

IUPAC6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)/C(N)=N/O)Cc1cccc(F)c1
InChIInChI=1S/C16H26FN3O/c1-16(2,15(18)19-21)9-4-5-10-20(3)12-13-7-6-8-14(17)11-13/h6-8,11,21H,4-5,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyLACJGYIUPSFLCX-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.20
Rot. Bonds8

About 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710715) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710715
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)/C(N)=N/O)Cc1cccc(F)c1
InChIInChI=1S/C16H26FN3O/c1-16(2,15(18)19-21)9-4-5-10-20(3)12-13-7-6-8-14(17)11-13/h6-8,11,21H,4-5,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyLACJGYIUPSFLCX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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'}

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Related Compounds

5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063573
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710715) is 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CN(CCCCC(C)(C)/C(N)=N/O)Cc1cccc(F)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is LACJGYIUPSFLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-16(2,15(18)19-21)9-4-5-10-20(3)12-13-7-6-8-14(17)11-13/h6-8,11,21H,4-5,9-10,12H2,1-3H3,(H2,18,19).
What are the key properties of 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 295.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).