2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O — CID 77004469

IUPAC2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(F)cc1C(N)=NO)C1CCCCCC1
InChIInChI=1S/C15H22FN3O/c1-19(12-6-4-2-3-5-7-12)14-9-8-11(16)10-13(14)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18)
InChIKeyUHVLKOKKLUCLBZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.08
Rot. Bonds3

About 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004469) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004469
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(F)cc1C(N)=NO)C1CCCCCC1
InChIInChI=1S/C15H22FN3O/c1-19(12-6-4-2-3-5-7-12)14-9-8-11(16)10-13(14)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18)
InChIKeyUHVLKOKKLUCLBZ-UHFFFAOYSA-N
XLogP3.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 114892468
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004469) is 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide is CN(c1ccc(F)cc1C(N)=NO)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UHVLKOKKLUCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(12-6-4-2-3-5-7-12)14-9-8-11(16)10-13(14)15(17)18-20/h8-10,12,20H,2-7H2,1H3,(H2,17,18).
What are the key properties of 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).