2-ethoxy-N-methylethanimine

C5H11NO — CID 54553026

IUPAC2-ethoxy-N-methylethanimine
SMILESCCOC/C=N/C
InChIInChI=1S/C5H11NO/c1-3-7-5-4-6-2/h4H,3,5H2,1-2H3/b6-4+
InChIKeyOWBXOBSJLRKYDC-GQCTYLIASA-N
MW101.15 g/mol
LogP0.72
Rot. Bonds3

About 2-ethoxy-N-methylethanimine

2-ethoxy-N-methylethanimine (PubChem CID 54553026) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-ethoxy-N-methylethanimine.

Molecular Properties

Compound Name2-ethoxy-N-methylethanimine
PubChem CID54553026
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-ethoxy-N-methylethanimine
SMILESCCOC/C=N/C
InChIInChI=1S/C5H11NO/c1-3-7-5-4-6-2/h4H,3,5H2,1-2H3/b6-4+
InChIKeyOWBXOBSJLRKYDC-GQCTYLIASA-N
XLogP0.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methylethanimine?
The IUPAC name of 2-ethoxy-N-methylethanimine (CID 54553026) is 2-ethoxy-N-methylethanimine.
What is the SMILES notation for 2-ethoxy-N-methylethanimine?
The canonical SMILES for 2-ethoxy-N-methylethanimine is CCOC/C=N/C.
What is the InChIKey of 2-ethoxy-N-methylethanimine?
The InChIKey is OWBXOBSJLRKYDC-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c1-3-7-5-4-6-2/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of 2-ethoxy-N-methylethanimine?
2-ethoxy-N-methylethanimine has a molecular weight of 101.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methylethanimine is sourced from PubChem (CID 54553026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).