2-ethoxy-N-ethylethanamine

C6H15NO — CID 520890

IUPAC2-ethoxy-N-ethylethanamine
SMILESCCNCCOCC
InChIInChI=1S/C6H15NO/c1-3-7-5-6-8-4-2/h7H,3-6H2,1-2H3
InChIKeyHDWAEDOMCNQUSW-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.63
Rot. Bonds5

About 2-ethoxy-N-ethylethanamine

2-ethoxy-N-ethylethanamine (PubChem CID 520890) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethylethanamine
PubChem CID520890
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-ethoxy-N-ethylethanamine
SMILESCCNCCOCC
InChIInChI=1S/C6H15NO/c1-3-7-5-6-8-4-2/h7H,3-6H2,1-2H3
InChIKeyHDWAEDOMCNQUSW-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethylethanamine?
The IUPAC name of 2-ethoxy-N-ethylethanamine (CID 520890) is 2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 2-ethoxy-N-ethylethanamine?
The canonical SMILES for 2-ethoxy-N-ethylethanamine is CCNCCOCC.
What is the InChIKey of 2-ethoxy-N-ethylethanamine?
The InChIKey is HDWAEDOMCNQUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-7-5-6-8-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethylethanamine?
2-ethoxy-N-ethylethanamine has a molecular weight of 117.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 520890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).