2-[(Z)-4-ethoxybut-2-enoxy]ethanamine

C8H17NO2 — CID 126620187

IUPAC2-[(Z)-4-ethoxybut-2-enoxy]ethanamine
SMILESCCOC/C=C\COCCN
InChIInChI=1S/C8H17NO2/c1-2-10-6-3-4-7-11-8-5-9/h3-4H,2,5-9H2,1H3/b4-3-
InChIKeyGWYLRDSMOVNVNC-ARJAWSKDSA-N
MW159.23 g/mol
LogP0.55
Rot. Bonds7

About 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine

2-[(Z)-4-ethoxybut-2-enoxy]ethanamine (PubChem CID 126620187) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(Z)-4-ethoxybut-2-enoxy]ethanamine
PubChem CID126620187
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[(Z)-4-ethoxybut-2-enoxy]ethanamine
SMILESCCOC/C=C\COCCN
InChIInChI=1S/C8H17NO2/c1-2-10-6-3-4-7-11-8-5-9/h3-4H,2,5-9H2,1H3/b4-3-
InChIKeyGWYLRDSMOVNVNC-ARJAWSKDSA-N
XLogP0.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine?
The IUPAC name of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine (CID 126620187) is 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine.
What is the SMILES notation for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine?
The canonical SMILES for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine is CCOC/C=C\COCCN.
What is the InChIKey of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine?
The InChIKey is GWYLRDSMOVNVNC-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-10-6-3-4-7-11-8-5-9/h3-4H,2,5-9H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine?
2-[(Z)-4-ethoxybut-2-enoxy]ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine is sourced from PubChem (CID 126620187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).