1-(methoxyamino)-2,3-dimethylbutan-2-ol

C7H17NO2 — CID 114398754

IUPAC1-(methoxyamino)-2,3-dimethylbutan-2-ol
SMILESCONCC(C)(O)C(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)7(3,9)5-8-10-4/h6,8-9H,5H2,1-4H3
InChIKeyGBWFRGCDKAUMRZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.54
Rot. Bonds4

About 1-(methoxyamino)-2,3-dimethylbutan-2-ol

1-(methoxyamino)-2,3-dimethylbutan-2-ol (PubChem CID 114398754) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(methoxyamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(methoxyamino)-2,3-dimethylbutan-2-ol
PubChem CID114398754
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(methoxyamino)-2,3-dimethylbutan-2-ol
SMILESCONCC(C)(O)C(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)7(3,9)5-8-10-4/h6,8-9H,5H2,1-4H3
InChIKeyGBWFRGCDKAUMRZ-UHFFFAOYSA-N
XLogP0.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.54
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-(methoxyamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(methoxyamino)-2,3-dimethylbutan-2-ol (CID 114398754) is 1-(methoxyamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(methoxyamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(methoxyamino)-2,3-dimethylbutan-2-ol is CONCC(C)(O)C(C)C.
What is the InChIKey of 1-(methoxyamino)-2,3-dimethylbutan-2-ol?
The InChIKey is GBWFRGCDKAUMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)7(3,9)5-8-10-4/h6,8-9H,5H2,1-4H3.
What are the key properties of 1-(methoxyamino)-2,3-dimethylbutan-2-ol?
1-(methoxyamino)-2,3-dimethylbutan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114398754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).