2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide

C12H23N3O2 — CID 104876922

IUPAC2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CC(C)CC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-5-12(4,10(13)14-17)11(16)15-7-8(2)6-9(15)3/h8-9,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyCSXGYYFJCDGEAX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds3

About 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide

2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 104876922) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
PubChem CID104876922
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CC(C)CC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-5-12(4,10(13)14-17)11(16)15-7-8(2)6-9(15)3/h8-9,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyCSXGYYFJCDGEAX-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.41
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-2-methyl-2-(3-methylthiomorpholine-4-carbonyl)butanimidamide
CID 114293022
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292862
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292678
N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 114293066
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
CID 106837005
2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103733960
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide (CID 104876922) is 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide is CCC(C)(C(=O)N1CC(C)CC1C)C(N)=NO.
What is the InChIKey of 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is CSXGYYFJCDGEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-12(4,10(13)14-17)11(16)15-7-8(2)6-9(15)3/h8-9,17H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide?
2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 104876922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).