1-aminooxy-3,3-dimethylbutan-2-ol

C6H15NO2 — CID 21111532

IUPAC1-aminooxy-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CON
InChIInChI=1S/C6H15NO2/c1-6(2,3)5(8)4-9-7/h5,8H,4,7H2,1-3H3
InChIKeyFSNWKKDILGLXFA-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.28
Rot. Bonds2

About 1-aminooxy-3,3-dimethylbutan-2-ol

1-aminooxy-3,3-dimethylbutan-2-ol (PubChem CID 21111532) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-aminooxy-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3,3-dimethylbutan-2-ol
PubChem CID21111532
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-aminooxy-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CON
InChIInChI=1S/C6H15NO2/c1-6(2,3)5(8)4-9-7/h5,8H,4,7H2,1-3H3
InChIKeyFSNWKKDILGLXFA-UHFFFAOYSA-N
XLogP0.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-aminooxy-3,3-dimethylbutan-2-ol (CID 21111532) is 1-aminooxy-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-aminooxy-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-aminooxy-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CON.
What is the InChIKey of 1-aminooxy-3,3-dimethylbutan-2-ol?
The InChIKey is FSNWKKDILGLXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(2,3)5(8)4-9-7/h5,8H,4,7H2,1-3H3.
What are the key properties of 1-aminooxy-3,3-dimethylbutan-2-ol?
1-aminooxy-3,3-dimethylbutan-2-ol has a molecular weight of 133.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 21111532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).