2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine

C9H19NO2 — CID 134351983

IUPAC2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
SMILESCCOC/C=C\COCCNC
InChIInChI=1S/C9H19NO2/c1-3-11-7-4-5-8-12-9-6-10-2/h4-5,10H,3,6-9H2,1-2H3/b5-4-
InChIKeyCNGDCZIUXSFNJI-PLNGDYQASA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds8

About 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine

2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine (PubChem CID 134351983) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
PubChem CID134351983
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
SMILESCCOC/C=C\COCCNC
InChIInChI=1S/C9H19NO2/c1-3-11-7-4-5-8-12-9-6-10-2/h4-5,10H,3,6-9H2,1-2H3/b5-4-
InChIKeyCNGDCZIUXSFNJI-PLNGDYQASA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.82
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]-N-methylethanamine?
The IUPAC name of 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine (CID 134351983) is 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine?
The canonical SMILES for 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine is CCOC/C=C\COCCNC.
What is the InChIKey of 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine?
The InChIKey is CNGDCZIUXSFNJI-PLNGDYQASA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-11-7-4-5-8-12-9-6-10-2/h4-5,10H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of 2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine?
2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.82, 8 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]-N-methylethanamine is sourced from PubChem (CID 134351983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).