2-(ethoxyamino)butan-2-ol

C6H15NO2 — CID 57068592

IUPAC2-(ethoxyamino)butan-2-ol
SMILESCCONC(C)(O)CC
InChIInChI=1S/C6H15NO2/c1-4-6(3,8)7-9-5-2/h7-8H,4-5H2,1-3H3
InChIKeyLGBIAAFYIKVIGY-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.65
Rot. Bonds4

About 2-(ethoxyamino)butan-2-ol

2-(ethoxyamino)butan-2-ol (PubChem CID 57068592) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(ethoxyamino)butan-2-ol.

Molecular Properties

Compound Name2-(ethoxyamino)butan-2-ol
PubChem CID57068592
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(ethoxyamino)butan-2-ol
SMILESCCONC(C)(O)CC
InChIInChI=1S/C6H15NO2/c1-4-6(3,8)7-9-5-2/h7-8H,4-5H2,1-3H3
InChIKeyLGBIAAFYIKVIGY-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 2-(ethoxyamino)butan-2-ol?
The IUPAC name of 2-(ethoxyamino)butan-2-ol (CID 57068592) is 2-(ethoxyamino)butan-2-ol.
What is the SMILES notation for 2-(ethoxyamino)butan-2-ol?
The canonical SMILES for 2-(ethoxyamino)butan-2-ol is CCONC(C)(O)CC.
What is the InChIKey of 2-(ethoxyamino)butan-2-ol?
The InChIKey is LGBIAAFYIKVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-6(3,8)7-9-5-2/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-(ethoxyamino)butan-2-ol?
2-(ethoxyamino)butan-2-ol has a molecular weight of 133.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxyamino)butan-2-ol is sourced from PubChem (CID 57068592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).