6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide

C12H20N4O2 — CID 79679021

IUPAC6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)C(C)(C)COc1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H20N4O2/c1-12(2,16(3)4)8-18-10-6-5-9(7-14-10)11(13)15-17/h5-7,17H,8H2,1-4H3,(H2,13,15)
InChIKeyIWUVFOVLEXWQCZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.90
Rot. Bonds5

About 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide

6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 79679021) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
PubChem CID79679021
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)C(C)(C)COc1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H20N4O2/c1-12(2,16(3)4)8-18-10-6-5-9(7-14-10)11(13)15-17/h5-7,17H,8H2,1-4H3,(H2,13,15)
InChIKeyIWUVFOVLEXWQCZ-UHFFFAOYSA-N
XLogP0.90
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
N'-hydroxy-4-[6-(3-hydroxy-3-methoxy-2,2-dimethylpropoxy)-3-pyridinyl]benzenecarboximidamide
CID 118134664
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
methyl 3-[[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 118030611
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24710899
tert-butyl N-[[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 145206858

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide (CID 79679021) is 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide is CN(C)C(C)(C)COc1ccc(C(N)=NO)cn1.
What is the InChIKey of 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is IWUVFOVLEXWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,16(3)4)8-18-10-6-5-9(7-14-10)11(13)15-17/h5-7,17H,8H2,1-4H3,(H2,13,15).
What are the key properties of 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide?
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 79679021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).