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

C13H21N3O2 — CID 79679575

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C(C)(C)COc1ccccc1C(N)=NO
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-8-6-5-7-10(11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15)
InChIKeyGQIJEJYFMQDBIK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

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

2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 79679575) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID79679575
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C(C)(C)COc1ccccc1C(N)=NO
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-8-6-5-7-10(11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15)
InChIKeyGQIJEJYFMQDBIK-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

1-(2-methoxyphenoxy)-N,N,2-trimethylpropan-2-amine
CID 67415487
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 115597531
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
CID 43374370
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
5-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzenecarbothioamide
CID 79680217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide (CID 79679575) is 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide is CN(C)C(C)(C)COc1ccccc1C(N)=NO.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is GQIJEJYFMQDBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,16(3)4)9-18-11-8-6-5-7-10(11)12(14)15-17/h5-8,17H,9H2,1-4H3,(H2,14,15).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide?
2-[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 2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79679575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).