4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O — CID 43658138

IUPAC4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cc1F)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18)
InChIKeyDTFCRNXSQKQYGG-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.08
Rot. Bonds4

About 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658138) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658138
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cc1F)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18)
InChIKeyDTFCRNXSQKQYGG-UHFFFAOYSA-N
XLogP3.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.08
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

3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984358
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
3-fluoro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632369
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-[butan-2-yl(methyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658169
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 103189151
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904288

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658138) is 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCN(c1ccc(/C(N)=N/O)cc1F)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is DTFCRNXSQKQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18).
What are the key properties of 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).