2-hydroxy-N-methylpropan-1-amine oxide

C4H11NO2 — CID 163564233

IUPAC2-hydroxy-N-methylpropan-1-amine oxide
SMILESCC(O)C[NH+](C)[O-]
InChIInChI=1S/C4H11NO2/c1-4(6)3-5(2)7/h4-6H,3H2,1-2H3
InChIKeyFTVCVVVFCICQJH-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.62
Rot. Bonds2

About 2-hydroxy-N-methylpropan-1-amine oxide

2-hydroxy-N-methylpropan-1-amine oxide (PubChem CID 163564233) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-hydroxy-N-methylpropan-1-amine oxide.

Molecular Properties

Compound Name2-hydroxy-N-methylpropan-1-amine oxide
PubChem CID163564233
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-hydroxy-N-methylpropan-1-amine oxide
SMILESCC(O)C[NH+](C)[O-]
InChIInChI=1S/C4H11NO2/c1-4(6)3-5(2)7/h4-6H,3H2,1-2H3
InChIKeyFTVCVVVFCICQJH-UHFFFAOYSA-N
XLogP-1.62
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl(2-hydroxypropyl)azanium
CID 23278727
diethyl-[(2R)-2-hydroxypropyl]azanium
CID 6951308
1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
CID 18519471
propane-1,2-diol
CID 23506506
hydroxylamine;propan-2-ol
CID 22024851
aluminum butan-2-ol
CID 23623700
iron(2+);bis(pentane-2,4-diol)
CID 161218003
pentakis(butan-2-ol);molybdenum
CID 152613437
copper bis(pentane-2,4-diol)
CID 135036707
europium;tetrakis(pentane-2,4-diol)
CID 59946569
tris(pentane-2,4-diol);ruthenium
CID 5231187
palladium;bis(pentane-2,4-diol)
CID 58773675

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methylpropan-1-amine oxide?
The IUPAC name of 2-hydroxy-N-methylpropan-1-amine oxide (CID 163564233) is 2-hydroxy-N-methylpropan-1-amine oxide.
What is the SMILES notation for 2-hydroxy-N-methylpropan-1-amine oxide?
The canonical SMILES for 2-hydroxy-N-methylpropan-1-amine oxide is CC(O)C[NH+](C)[O-].
What is the InChIKey of 2-hydroxy-N-methylpropan-1-amine oxide?
The InChIKey is FTVCVVVFCICQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-4(6)3-5(2)7/h4-6H,3H2,1-2H3.
What are the key properties of 2-hydroxy-N-methylpropan-1-amine oxide?
2-hydroxy-N-methylpropan-1-amine oxide has a molecular weight of 105.14 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methylpropan-1-amine oxide is sourced from PubChem (CID 163564233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).