O-(butan-2-yloxymethyl)hydroxylamine

C5H13NO2 — CID 130564339

IUPACO-(butan-2-yloxymethyl)hydroxylamine
SMILESCCC(C)OCON
InChIInChI=1S/C5H13NO2/c1-3-5(2)7-4-8-6/h5H,3-4,6H2,1-2H3
InChIKeySTNLVUCPMKNSGJ-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.65
Rot. Bonds4

About O-(butan-2-yloxymethyl)hydroxylamine

O-(butan-2-yloxymethyl)hydroxylamine (PubChem CID 130564339) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is O-(butan-2-yloxymethyl)hydroxylamine.

Molecular Properties

Compound NameO-(butan-2-yloxymethyl)hydroxylamine
PubChem CID130564339
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameO-(butan-2-yloxymethyl)hydroxylamine
SMILESCCC(C)OCON
InChIInChI=1S/C5H13NO2/c1-3-5(2)7-4-8-6/h5H,3-4,6H2,1-2H3
InChIKeySTNLVUCPMKNSGJ-UHFFFAOYSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylperoxymethoxy)butane
CID 21334100
3-butan-2-yloxypropan-1-amine
CID 54795719
1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
CID 54035623
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-butan-2-yloxybutane;ethanol
CID 88614162
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-(phosphorosomethoxy)butane
CID 22897799
2-butan-2-yloxy-N'-hydroxyethanimidamide
CID 76883223
2-(1-butan-2-yloxypropan-2-yloxy)propan-2-amine
CID 58427609
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745

Frequently Asked Questions

What is the IUPAC name of O-(butan-2-yloxymethyl)hydroxylamine?
The IUPAC name of O-(butan-2-yloxymethyl)hydroxylamine (CID 130564339) is O-(butan-2-yloxymethyl)hydroxylamine.
What is the SMILES notation for O-(butan-2-yloxymethyl)hydroxylamine?
The canonical SMILES for O-(butan-2-yloxymethyl)hydroxylamine is CCC(C)OCON.
What is the InChIKey of O-(butan-2-yloxymethyl)hydroxylamine?
The InChIKey is STNLVUCPMKNSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-5(2)7-4-8-6/h5H,3-4,6H2,1-2H3.
What are the key properties of O-(butan-2-yloxymethyl)hydroxylamine?
O-(butan-2-yloxymethyl)hydroxylamine has a molecular weight of 119.16 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(butan-2-yloxymethyl)hydroxylamine is sourced from PubChem (CID 130564339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).