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

C14H21N3O — CID 107929923

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CCCC2(C)C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(11(9-10)13(15)16-18)17-8-4-7-14(17,2)3/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyLIDFSMDEKQDKCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds2

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

2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929923) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929923
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N2CCCC2(C)C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(11(9-10)13(15)16-18)17-8-4-7-14(17,2)3/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyLIDFSMDEKQDKCC-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76987365
2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930509
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
N'-hydroxy-5-methyl-2-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 114017220
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 77034276
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929996
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
2-(4,4-dimethylazepan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77064459
5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide
CID 63219551
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
5-chloro-2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77016603

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929923) is 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N2CCCC2(C)C)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is LIDFSMDEKQDKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-12(11(9-10)13(15)16-18)17-8-4-7-14(17,2)3/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).