4-(2-ethoxyethoxy)but-2-en-1-amine

C8H17NO2 — CID 77110386

IUPAC4-(2-ethoxyethoxy)but-2-en-1-amine
SMILESCCOCCOCC=CCN
InChIInChI=1S/C8H17NO2/c1-2-10-7-8-11-6-4-3-5-9/h3-4H,2,5-9H2,1H3
InChIKeyRIYIZNXEDGDFPK-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.55
Rot. Bonds7

About 4-(2-ethoxyethoxy)but-2-en-1-amine

4-(2-ethoxyethoxy)but-2-en-1-amine (PubChem CID 77110386) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)but-2-en-1-amine
PubChem CID77110386
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(2-ethoxyethoxy)but-2-en-1-amine
SMILESCCOCCOCC=CCN
InChIInChI=1S/C8H17NO2/c1-2-10-7-8-11-6-4-3-5-9/h3-4H,2,5-9H2,1H3
InChIKeyRIYIZNXEDGDFPK-UHFFFAOYSA-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 4-(2-ethoxyethoxy)but-2-en-1-amine?
The IUPAC name of 4-(2-ethoxyethoxy)but-2-en-1-amine (CID 77110386) is 4-(2-ethoxyethoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(2-ethoxyethoxy)but-2-en-1-amine?
The canonical SMILES for 4-(2-ethoxyethoxy)but-2-en-1-amine is CCOCCOCC=CCN.
What is the InChIKey of 4-(2-ethoxyethoxy)but-2-en-1-amine?
The InChIKey is RIYIZNXEDGDFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-10-7-8-11-6-4-3-5-9/h3-4H,2,5-9H2,1H3.
What are the key properties of 4-(2-ethoxyethoxy)but-2-en-1-amine?
4-(2-ethoxyethoxy)but-2-en-1-amine 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 4-(2-ethoxyethoxy)but-2-en-1-amine is sourced from PubChem (CID 77110386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).