2-aminobutanal;ethoxyethane

C8H19NO2 — CID 174799837

IUPAC2-aminobutanal;ethoxyethane
SMILESCCC(N)C=O.CCOCC
InChIInChI=1S/C4H9NO.C4H10O/c1-2-4(5)3-6;1-3-5-4-2/h3-4H,2,5H2,1H3;3-4H2,1-2H3
InChIKeyWUEKPPNVWADCOF-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.97
Rot. Bonds4

About 2-aminobutanal;ethoxyethane

2-aminobutanal;ethoxyethane (PubChem CID 174799837) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-aminobutanal;ethoxyethane.

Molecular Properties

Compound Name2-aminobutanal;ethoxyethane
PubChem CID174799837
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-aminobutanal;ethoxyethane
SMILESCCC(N)C=O.CCOCC
InChIInChI=1S/C4H9NO.C4H10O/c1-2-4(5)3-6;1-3-5-4-2/h3-4H,2,5H2,1H3;3-4H2,1-2H3
InChIKeyWUEKPPNVWADCOF-UHFFFAOYSA-N
XLogP0.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutanal;ethoxyethane
CID 126485653
ethoxyethane;molecular nitrogen
CID 86758381
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
(2S)-2-amino-3-methoxypropanal
CID 18395600
ethoxyethane;N-ethylethanamine
CID 21325293
ethoxyethane;hydroxylamine
CID 135816400
ethanamine;ethoxyethane
CID 87409390
ethoxyethane;oxophosphane
CID 18547249
ethoxyethane;formaldehyde
CID 174286087
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
(2R)-2-amino-3-methylsulfanylpropanal
CID 56634175

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanal;ethoxyethane?
The IUPAC name of 2-aminobutanal;ethoxyethane (CID 174799837) is 2-aminobutanal;ethoxyethane.
What is the SMILES notation for 2-aminobutanal;ethoxyethane?
The canonical SMILES for 2-aminobutanal;ethoxyethane is CCC(N)C=O.CCOCC.
What is the InChIKey of 2-aminobutanal;ethoxyethane?
The InChIKey is WUEKPPNVWADCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H10O/c1-2-4(5)3-6;1-3-5-4-2/h3-4H,2,5H2,1H3;3-4H2,1-2H3.
What are the key properties of 2-aminobutanal;ethoxyethane?
2-aminobutanal;ethoxyethane has a molecular weight of 161.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanal;ethoxyethane is sourced from PubChem (CID 174799837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).