2-aminobutanal;methoxymethane

C6H15NO2 — CID 143195506

IUPAC2-aminobutanal;methoxymethane
SMILESCCC(N)C=O.COC
InChIInChI=1S/C4H9NO.C2H6O/c1-2-4(5)3-6;1-3-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyLFCJFKKPQRNMOG-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.19
Rot. Bonds2

About 2-aminobutanal;methoxymethane

2-aminobutanal;methoxymethane (PubChem CID 143195506) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-aminobutanal;methoxymethane.

Molecular Properties

Compound Name2-aminobutanal;methoxymethane
PubChem CID143195506
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-aminobutanal;methoxymethane
SMILESCCC(N)C=O.COC
InChIInChI=1S/C4H9NO.C2H6O/c1-2-4(5)3-6;1-3-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyLFCJFKKPQRNMOG-UHFFFAOYSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanal;methoxymethane?
The IUPAC name of 2-aminobutanal;methoxymethane (CID 143195506) is 2-aminobutanal;methoxymethane.
What is the SMILES notation for 2-aminobutanal;methoxymethane?
The canonical SMILES for 2-aminobutanal;methoxymethane is CCC(N)C=O.COC.
What is the InChIKey of 2-aminobutanal;methoxymethane?
The InChIKey is LFCJFKKPQRNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O/c1-2-4(5)3-6;1-3-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of 2-aminobutanal;methoxymethane?
2-aminobutanal;methoxymethane has a molecular weight of 133.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanal;methoxymethane is sourced from PubChem (CID 143195506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).