3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

C16H24FN3O — CID 76904288

IUPAC3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(N(C)Cc2ccc(C(N)=NO)cc2F)C1
InChIInChI=1S/C16H24FN3O/c1-11-4-3-5-14(8-11)20(2)10-13-7-6-12(9-15(13)17)16(18)19-21/h6-7,9,11,14,21H,3-5,8,10H2,1-2H3,(H2,18,19)
InChIKeyOEMSBFFSIZCVRE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.93
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (PubChem CID 76904288) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
PubChem CID76904288
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(N(C)Cc2ccc(C(N)=NO)cc2F)C1
InChIInChI=1S/C16H24FN3O/c1-11-4-3-5-14(8-11)20(2)10-13-7-6-12(9-15(13)17)16(18)19-21/h6-7,9,11,14,21H,3-5,8,10H2,1-2H3,(H2,18,19)
InChIKeyOEMSBFFSIZCVRE-UHFFFAOYSA-N
XLogP2.93
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 61444590
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373
4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
CID 61232434
ethane;3-fluoro-N'-hydroxy-4-[[3-hydroxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 165399364
4-(cyclopentylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76982852
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658138
3-fluoro-N'-hydroxy-4-[[(2-methylcyclopropyl)methylamino]methyl]benzenecarboximidamide
CID 113463881

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (CID 76904288) is 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is CC1CCCC(N(C)Cc2ccc(C(N)=NO)cc2F)C1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The InChIKey is OEMSBFFSIZCVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-4-3-5-14(8-11)20(2)10-13-7-6-12(9-15(13)17)16(18)19-21/h6-7,9,11,14,21H,3-5,8,10H2,1-2H3,(H2,18,19).
What are the key properties of 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide has a molecular weight of 293.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 76904288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).