2-ethoxy-N-ethylethanimine

C6H13NO — CID 22960347

IUPAC2-ethoxy-N-ethylethanimine
SMILESCC/N=C/COCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyAOMXAEDKWOQZAU-FNORWQNLSA-N
MW115.18 g/mol
LogP1.11
Rot. Bonds4

About 2-ethoxy-N-ethylethanimine

2-ethoxy-N-ethylethanimine (PubChem CID 22960347) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-ethoxy-N-ethylethanimine.

Molecular Properties

Compound Name2-ethoxy-N-ethylethanimine
PubChem CID22960347
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-ethoxy-N-ethylethanimine
SMILESCC/N=C/COCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyAOMXAEDKWOQZAU-FNORWQNLSA-N
XLogP1.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.11
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-ethylethanimine?
The IUPAC name of 2-ethoxy-N-ethylethanimine (CID 22960347) is 2-ethoxy-N-ethylethanimine.
What is the SMILES notation for 2-ethoxy-N-ethylethanimine?
The canonical SMILES for 2-ethoxy-N-ethylethanimine is CC/N=C/COCC.
What is the InChIKey of 2-ethoxy-N-ethylethanimine?
The InChIKey is AOMXAEDKWOQZAU-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of 2-ethoxy-N-ethylethanimine?
2-ethoxy-N-ethylethanimine has a molecular weight of 115.18 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethylethanimine is sourced from PubChem (CID 22960347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).