2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide

C12H23N3O2 — CID 79181074

IUPAC2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CC(C)C(C)C1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-4-5-10(11(13)14-17)12(16)15-6-8(2)9(3)7-15/h8-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyLGDXYMHHAJHWEK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.26
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide

2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 79181074) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
PubChem CID79181074
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CC(C)C(C)C1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-4-5-10(11(13)14-17)12(16)15-6-8(2)9(3)7-15/h8-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyLGDXYMHHAJHWEK-UHFFFAOYSA-N
XLogP1.26
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.26
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-(3,4-dimethylpyrrolidine-1-carbonyl)pentanethioamide
CID 79181037
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 113356030
2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76925085
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxypentanimidamide
CID 76924781
2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76939929
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanimidamide
CID 81208282
N'-hydroxy-2-[2-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 112748780
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide
CID 77047426
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide (CID 79181074) is 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CC(C)C(C)C1)C(N)=NO.
What is the InChIKey of 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is LGDXYMHHAJHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-5-10(11(13)14-17)12(16)15-6-8(2)9(3)7-15/h8-10,17H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide?
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 79181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).