N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide

C11H25N3O3 — CID 114266354

IUPACN'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide
SMILESCOCCN(CCOC(C)C(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O3/c1-9(2)14(5-7-16-4)6-8-17-10(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyOJQYGUTUWVWFJY-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.49
Rot. Bonds9

About N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide

N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide (PubChem CID 114266354) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide
PubChem CID114266354
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC NameN'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide
SMILESCOCCN(CCOC(C)C(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O3/c1-9(2)14(5-7-16-4)6-8-17-10(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyOJQYGUTUWVWFJY-UHFFFAOYSA-N
XLogP0.49
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.49
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

2-[2-[2-(1-amino-1-hydroxyiminopropan-2-yl)oxyethyl-(3-amino-3-hydroxyiminopropyl)amino]ethoxy]-N'-hydroxypropanimidamide
CID 141238675
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
CID 24691298
N'-hydroxy-3-(2-methylmorpholin-4-yl)propanimidamide
CID 24702388
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
N'-hydroxy-4-(2-methylmorpholin-4-yl)butanimidamide
CID 24711621
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 43457214
N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide
CID 43542179
N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542180
3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43544639
4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 43544642
3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
CID 43544643
2-(2,5-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
CID 43544644

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide (CID 114266354) is N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide is COCCN(CCOC(C)C(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide?
The InChIKey is OJQYGUTUWVWFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-9(2)14(5-7-16-4)6-8-17-10(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide?
N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide has a molecular weight of 247.34 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide is sourced from PubChem (CID 114266354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).