5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C11H14BrN3O — CID 114892387

IUPAC5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(Br)cc1/C(N)=N/O)C1CC1
InChIInChI=1S/C11H14BrN3O/c1-15(8-3-4-8)10-5-2-7(12)6-9(10)11(13)14-16/h2,5-6,8,16H,3-4H2,1H3,(H2,13,14)
InChIKeyITGZBACXVYFYGH-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114892387) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID114892387
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(Br)cc1/C(N)=N/O)C1CC1
InChIInChI=1S/C11H14BrN3O/c1-15(8-3-4-8)10-5-2-7(12)6-9(10)11(13)14-16/h2,5-6,8,16H,3-4H2,1H3,(H2,13,14)
InChIKeyITGZBACXVYFYGH-UHFFFAOYSA-N
XLogP2.14
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.14
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

5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 114892468
5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892588
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
4-bromo-N'-hydroxy-2-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 114903894
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
4-bromo-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114903918
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
5-bromo-2-[butan-2-yl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892396
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarbothioamide
CID 114891586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 114892387) is 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(c1ccc(Br)cc1/C(N)=N/O)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ITGZBACXVYFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-15(8-3-4-8)10-5-2-7(12)6-9(10)11(13)14-16/h2,5-6,8,16H,3-4H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 284.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).