N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide

C13H19N3O — CID 54882615

IUPACN'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1N1CCCC1C
InChIInChI=1S/C13H19N3O/c1-9-8-11(13(14)15-17)5-6-12(9)16-7-3-4-10(16)2/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyGZUQUYANGNVVHX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.08
Rot. Bonds2

About N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide

N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 54882615) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID54882615
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1N1CCCC1C
InChIInChI=1S/C13H19N3O/c1-9-8-11(13(14)15-17)5-6-12(9)16-7-3-4-10(16)2/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyGZUQUYANGNVVHX-UHFFFAOYSA-N
XLogP2.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.08
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-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450
N'-hydroxy-3-methyl-4-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 114482620
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
3-chloro-4-(2-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 63086947
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
CID 62123919
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
4-(3,4-dimethylpiperazin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77000724
N'-hydroxy-3-methyl-4-(3-methylpyrazol-1-yl)benzenecarboximidamide
CID 76944627
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide (CID 54882615) is N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1N1CCCC1C.
What is the InChIKey of N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is GZUQUYANGNVVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-11(13(14)15-17)5-6-12(9)16-7-3-4-10(16)2/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 54882615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).