2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide

C14H21N3O — CID 107930021

IUPAC2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CC(C)CC2C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O/c1-9-4-5-13(12(7-9)14(15)16-18)17-8-10(2)6-11(17)3/h4-5,7,10-11,18H,6,8H2,1-3H3,(H2,15,16)
InChIKeyLQOVEKVNLBICFS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds2

About 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930021) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930021
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CC(C)CC2C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O/c1-9-4-5-13(12(7-9)14(15)16-18)17-8-10(2)6-11(17)3/h4-5,7,10-11,18H,6,8H2,1-3H3,(H2,15,16)
InChIKeyLQOVEKVNLBICFS-UHFFFAOYSA-N
XLogP2.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
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'}

Analyze 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929996
2-bromo-6-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883357
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937
2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004241
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
N'-hydroxy-4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
CID 76938743
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929923
N'-hydroxy-5-methyl-2-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 114017220
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114896030
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930021) is 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N2CC(C)CC2C)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is LQOVEKVNLBICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-5-13(12(7-9)14(15)16-18)17-8-10(2)6-11(17)3/h4-5,7,10-11,18H,6,8H2,1-3H3,(H2,15,16).
What are the key properties of 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).