2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C16H33NO6 — CID 153358478

IUPAC2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C16H33NO6/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17/h2H,1,3-17H2
InChIKeyLPFULHWBMZDJIV-UHFFFAOYSA-N
MW335.44 g/mol
LogP0.62
Rot. Bonds20

About 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 153358478) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID153358478
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC Name2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C16H33NO6/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17/h2H,1,3-17H2
InChIKeyLPFULHWBMZDJIV-UHFFFAOYSA-N
XLogP0.62
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 153358478) is 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is C=CCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is LPFULHWBMZDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17/h2H,1,3-17H2.
What are the key properties of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 335.44 g/mol, XLogP of 0.62, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 153358478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).