1-(1-amino-2-methylpropan-2-yl)oxyethanol

C6H15NO2 — CID 87187146

IUPAC1-(1-amino-2-methylpropan-2-yl)oxyethanol
SMILESCC(O)OC(C)(C)CN
InChIInChI=1S/C6H15NO2/c1-5(8)9-6(2,3)4-7/h5,8H,4,7H2,1-3H3
InChIKeyFXAZVJSOCSOILA-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.08
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)oxyethanol

1-(1-amino-2-methylpropan-2-yl)oxyethanol (PubChem CID 87187146) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)oxyethanol.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)oxyethanol
PubChem CID87187146
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(1-amino-2-methylpropan-2-yl)oxyethanol
SMILESCC(O)OC(C)(C)CN
InChIInChI=1S/C6H15NO2/c1-5(8)9-6(2,3)4-7/h5,8H,4,7H2,1-3H3
InChIKeyFXAZVJSOCSOILA-UHFFFAOYSA-N
XLogP0.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)oxyethanol?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)oxyethanol (CID 87187146) is 1-(1-amino-2-methylpropan-2-yl)oxyethanol.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)oxyethanol?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)oxyethanol is CC(O)OC(C)(C)CN.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)oxyethanol?
The InChIKey is FXAZVJSOCSOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(8)9-6(2,3)4-7/h5,8H,4,7H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)oxyethanol?
1-(1-amino-2-methylpropan-2-yl)oxyethanol has a molecular weight of 133.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)oxyethanol is sourced from PubChem (CID 87187146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).