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

C13H19N3O — CID 81277575

IUPACN'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
SMILESCc1cc(N2CCCC2C)ccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O/c1-9-8-11(16-7-3-4-10(16)2)5-6-12(9)13(14)15-17/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyDNWYELQOEXGGCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.08
Rot. Bonds2

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

N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 81277575) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID81277575
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
SMILESCc1cc(N2CCCC2C)ccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O/c1-9-8-11(16-7-3-4-10(16)2)5-6-12(9)13(14)15-17/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyDNWYELQOEXGGCJ-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

N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 54882615
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
N'-hydroxy-2-methyl-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 81273838
N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 76916253
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277739
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
CID 81278035
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide (CID 81277575) is N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide is Cc1cc(N2CCCC2C)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is DNWYELQOEXGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-11(16-7-3-4-10(16)2)5-6-12(9)13(14)15-17/h5-6,8,10,17H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide?
N'-hydroxy-2-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-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81277575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).