1-aminooxy-2,3,3-trimethylbutan-2-ol

C7H17NO2 — CID 105429081

IUPAC1-aminooxy-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)CON
InChIInChI=1S/C7H17NO2/c1-6(2,3)7(4,9)5-10-8/h9H,5,8H2,1-4H3
InChIKeyPATIJQPTMNKAMC-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.67
Rot. Bonds2

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

1-aminooxy-2,3,3-trimethylbutan-2-ol (PubChem CID 105429081) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-aminooxy-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name1-aminooxy-2,3,3-trimethylbutan-2-ol
PubChem CID105429081
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-aminooxy-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)CON
InChIInChI=1S/C7H17NO2/c1-6(2,3)7(4,9)5-10-8/h9H,5,8H2,1-4H3
InChIKeyPATIJQPTMNKAMC-UHFFFAOYSA-N
XLogP0.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.67
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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Related Compounds

O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine
CID 117104615
dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol
CID 159782476
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 126671106
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
2-(aminooxymethyl)-2,4-dimethylpentanoic acid
CID 105436137
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
CID 39242687
1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
CID 87837706
1,5-diamino-3-methylpentan-3-ol
CID 55289745
O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine
CID 144742456
O-(2-hydroxy-2-methylpropyl) ethanethioate
CID 88671393

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 1-aminooxy-2,3,3-trimethylbutan-2-ol (CID 105429081) is 1-aminooxy-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 1-aminooxy-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 1-aminooxy-2,3,3-trimethylbutan-2-ol is CC(C)(C)C(C)(O)CON.
What is the InChIKey of 1-aminooxy-2,3,3-trimethylbutan-2-ol?
The InChIKey is PATIJQPTMNKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2,3)7(4,9)5-10-8/h9H,5,8H2,1-4H3.
What are the key properties of 1-aminooxy-2,3,3-trimethylbutan-2-ol?
1-aminooxy-2,3,3-trimethylbutan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 105429081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).