2-but-2-enoxy-N-ethylethanamine

C8H17NO — CID 76940140

IUPAC2-but-2-enoxy-N-ethylethanamine
SMILESCC=CCOCCNCC
InChIInChI=1S/C8H17NO/c1-3-5-7-10-8-6-9-4-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyVQXJZGQHJBCGTE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About 2-but-2-enoxy-N-ethylethanamine

2-but-2-enoxy-N-ethylethanamine (PubChem CID 76940140) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-but-2-enoxy-N-ethylethanamine.

Molecular Properties

Compound Name2-but-2-enoxy-N-ethylethanamine
PubChem CID76940140
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-but-2-enoxy-N-ethylethanamine
SMILESCC=CCOCCNCC
InChIInChI=1S/C8H17NO/c1-3-5-7-10-8-6-9-4-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyVQXJZGQHJBCGTE-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-but-2-enoxy-N-ethylethanamine?
The IUPAC name of 2-but-2-enoxy-N-ethylethanamine (CID 76940140) is 2-but-2-enoxy-N-ethylethanamine.
What is the SMILES notation for 2-but-2-enoxy-N-ethylethanamine?
The canonical SMILES for 2-but-2-enoxy-N-ethylethanamine is CC=CCOCCNCC.
What is the InChIKey of 2-but-2-enoxy-N-ethylethanamine?
The InChIKey is VQXJZGQHJBCGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-7-10-8-6-9-4-2/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 2-but-2-enoxy-N-ethylethanamine?
2-but-2-enoxy-N-ethylethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-N-ethylethanamine is sourced from PubChem (CID 76940140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).