2-ethenoxy-N-ethylethanamine

C6H13NO — CID 15041626

IUPAC2-ethenoxy-N-ethylethanamine
SMILESC=COCCNCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyBXFKZOPVKUTSFD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds5

About 2-ethenoxy-N-ethylethanamine

2-ethenoxy-N-ethylethanamine (PubChem CID 15041626) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-ethenoxy-N-ethylethanamine.

Molecular Properties

Compound Name2-ethenoxy-N-ethylethanamine
PubChem CID15041626
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-ethenoxy-N-ethylethanamine
SMILESC=COCCNCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyBXFKZOPVKUTSFD-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-N-ethylethanamine?
The IUPAC name of 2-ethenoxy-N-ethylethanamine (CID 15041626) is 2-ethenoxy-N-ethylethanamine.
What is the SMILES notation for 2-ethenoxy-N-ethylethanamine?
The canonical SMILES for 2-ethenoxy-N-ethylethanamine is C=COCCNCC.
What is the InChIKey of 2-ethenoxy-N-ethylethanamine?
The InChIKey is BXFKZOPVKUTSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-ethenoxy-N-ethylethanamine?
2-ethenoxy-N-ethylethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-N-ethylethanamine is sourced from PubChem (CID 15041626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).