2-ethyl-2-hydroxy-N'-methylbutanimidamide

C7H16N2O — CID 129095208

IUPAC2-ethyl-2-hydroxy-N'-methylbutanimidamide
SMILESCCC(O)(CC)/C(N)=N/C
InChIInChI=1S/C7H16N2O/c1-4-7(10,5-2)6(8)9-3/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyWEMFPOXVIHEKBE-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.52
Rot. Bonds3

About 2-ethyl-2-hydroxy-N'-methylbutanimidamide

2-ethyl-2-hydroxy-N'-methylbutanimidamide (PubChem CID 129095208) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-N'-methylbutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-N'-methylbutanimidamide
PubChem CID129095208
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-ethyl-2-hydroxy-N'-methylbutanimidamide
SMILESCCC(O)(CC)/C(N)=N/C
InChIInChI=1S/C7H16N2O/c1-4-7(10,5-2)6(8)9-3/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyWEMFPOXVIHEKBE-UHFFFAOYSA-N
XLogP0.52
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-N'-methylbutanimidamide?
The IUPAC name of 2-ethyl-2-hydroxy-N'-methylbutanimidamide (CID 129095208) is 2-ethyl-2-hydroxy-N'-methylbutanimidamide.
What is the SMILES notation for 2-ethyl-2-hydroxy-N'-methylbutanimidamide?
The canonical SMILES for 2-ethyl-2-hydroxy-N'-methylbutanimidamide is CCC(O)(CC)/C(N)=N/C.
What is the InChIKey of 2-ethyl-2-hydroxy-N'-methylbutanimidamide?
The InChIKey is WEMFPOXVIHEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-7(10,5-2)6(8)9-3/h10H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of 2-ethyl-2-hydroxy-N'-methylbutanimidamide?
2-ethyl-2-hydroxy-N'-methylbutanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-N'-methylbutanimidamide is sourced from PubChem (CID 129095208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).