N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide

C11H25N3O3 — CID 77061773

IUPACN'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide
SMILESCOCCOCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O3/c1-11(2,10(12)14-15)4-5-13-6-7-17-9-8-16-3/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyTUTZEHUTJDMVIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.40
Rot. Bonds10

About N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide (PubChem CID 77061773) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide
PubChem CID77061773
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC NameN'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide
SMILESCOCCOCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O3/c1-11(2,10(12)14-15)4-5-13-6-7-17-9-8-16-3/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyTUTZEHUTJDMVIH-UHFFFAOYSA-N
XLogP0.40
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide (CID 77061773) is N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide is COCCOCCNCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide?
The InChIKey is TUTZEHUTJDMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-11(2,10(12)14-15)4-5-13-6-7-17-9-8-16-3/h13,15H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide has a molecular weight of 247.34 g/mol, XLogP of 0.40, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).