1-(methoxyamino)oxybutane

C5H13NO2 — CID 89322798

IUPAC1-(methoxyamino)oxybutane
SMILESCCCCONOC
InChIInChI=1S/C5H13NO2/c1-3-4-5-8-6-7-2/h6H,3-5H2,1-2H3
InChIKeyHGAVIHNKNANEMY-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.87
Rot. Bonds5

About 1-(methoxyamino)oxybutane

1-(methoxyamino)oxybutane (PubChem CID 89322798) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-(methoxyamino)oxybutane.

Molecular Properties

Compound Name1-(methoxyamino)oxybutane
PubChem CID89322798
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-(methoxyamino)oxybutane
SMILESCCCCONOC
InChIInChI=1S/C5H13NO2/c1-3-4-5-8-6-7-2/h6H,3-5H2,1-2H3
InChIKeyHGAVIHNKNANEMY-UHFFFAOYSA-N
XLogP0.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(methoxyamino)oxy]methane
CID 160989408
1-methoxybutane;N-methylmethanamine
CID 144512984
N-butoxydecan-1-amine
CID 154317996
1-butoxybutane;methoxymethane
CID 18401298
1-butylperoxybutane
CID 159275797
1-butoxybutane;N-methylmethanamine
CID 88830911
magnesium;1-methoxybutane;diiodide
CID 175076057
CID 87860329
CID 87860329
N-butoxypropanamide
CID 86250289
methoxymethane;pentane
CID 87151149
N-heptoxyethanamine
CID 88792401
1-butylperoxybutane;hydrate
CID 158567350

Frequently Asked Questions

What is the IUPAC name of 1-(methoxyamino)oxybutane?
The IUPAC name of 1-(methoxyamino)oxybutane (CID 89322798) is 1-(methoxyamino)oxybutane.
What is the SMILES notation for 1-(methoxyamino)oxybutane?
The canonical SMILES for 1-(methoxyamino)oxybutane is CCCCONOC.
What is the InChIKey of 1-(methoxyamino)oxybutane?
The InChIKey is HGAVIHNKNANEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-4-5-8-6-7-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-(methoxyamino)oxybutane?
1-(methoxyamino)oxybutane has a molecular weight of 119.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyamino)oxybutane is sourced from PubChem (CID 89322798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).