4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide

C13H21N3O2 — CID 79679480

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C(C)(C)COc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-7-5-10(6-8-11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15)
InChIKeyQCITZDGJCZKPMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

About 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide

4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 79679480) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID79679480
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C(C)(C)COc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-7-5-10(6-8-11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15)
InChIKeyQCITZDGJCZKPMD-UHFFFAOYSA-N
XLogP1.50
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 43128315
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-[2-(dimethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide;2-(4-isocyanophenoxy)-N,N-dimethylethanamine
CID 172973820
N'-hydroxy-4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]benzenecarboximidamide
CID 61298660
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide (CID 79679480) is 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide is CN(C)C(C)(C)COc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QCITZDGJCZKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-7-5-10(6-8-11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79679480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).