1-hydroperoxy-2-methylpropan-2-amine

C4H11NO2 — CID 59000383

IUPAC1-hydroperoxy-2-methylpropan-2-amine
SMILESCC(C)(N)COO
InChIInChI=1S/C4H11NO2/c1-4(2,5)3-7-6/h6H,3,5H2,1-2H3
InChIKeyOCEFBRSDCHYONA-UHFFFAOYSA-N
MW105.14 g/mol
LogP0.21
Rot. Bonds2

About 1-hydroperoxy-2-methylpropan-2-amine

1-hydroperoxy-2-methylpropan-2-amine (PubChem CID 59000383) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 1-hydroperoxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-hydroperoxy-2-methylpropan-2-amine
PubChem CID59000383
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name1-hydroperoxy-2-methylpropan-2-amine
SMILESCC(C)(N)COO
InChIInChI=1S/C4H11NO2/c1-4(2,5)3-7-6/h6H,3,5H2,1-2H3
InChIKeyOCEFBRSDCHYONA-UHFFFAOYSA-N
XLogP0.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-2-methylpropan-2-amine?
The IUPAC name of 1-hydroperoxy-2-methylpropan-2-amine (CID 59000383) is 1-hydroperoxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-hydroperoxy-2-methylpropan-2-amine?
The canonical SMILES for 1-hydroperoxy-2-methylpropan-2-amine is CC(C)(N)COO.
What is the InChIKey of 1-hydroperoxy-2-methylpropan-2-amine?
The InChIKey is OCEFBRSDCHYONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-4(2,5)3-7-6/h6H,3,5H2,1-2H3.
What are the key properties of 1-hydroperoxy-2-methylpropan-2-amine?
1-hydroperoxy-2-methylpropan-2-amine has a molecular weight of 105.14 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2-methylpropan-2-amine is sourced from PubChem (CID 59000383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).