1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol

C8H19NO2 — CID 82724646

IUPAC1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol
SMILESCCC(O)CNOC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-5-7(10)6-9-11-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyAESFPOOIZAGXKD-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.08
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol

1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol (PubChem CID 82724646) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol
PubChem CID82724646
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol
SMILESCCC(O)CNOC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-5-7(10)6-9-11-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyAESFPOOIZAGXKD-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.08
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-[(2-methylpropan-2-yl)oxyamino]butan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol (CID 82724646) is 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol is CCC(O)CNOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol?
The InChIKey is AESFPOOIZAGXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-7(10)6-9-11-8(2,3)4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol?
1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol is sourced from PubChem (CID 82724646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).