2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C20H39NO8 — CID 166932546

IUPAC2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CC(=C)OCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C20H39NO8/c1-3-20(2)29-19-18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21/h3H,1-2,4-19,21H2
InChIKeyGYENAKHEEZEJOB-UHFFFAOYSA-N
MW421.53 g/mol
LogP0.78
Rot. Bonds25

About 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 166932546) has the molecular formula C20H39NO8 and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID166932546
Molecular FormulaC20H39NO8
Molecular Weight421.53 g/mol
Exact Mass421.27
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CC(=C)OCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C20H39NO8/c1-3-20(2)29-19-18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21/h3H,1-2,4-19,21H2
InChIKeyGYENAKHEEZEJOB-UHFFFAOYSA-N
XLogP0.78
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
2-[2-(2-buta-1,3-dien-2-yloxyethoxymethyl)-2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118259029
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
4-buta-1,3-dien-2-yloxybutyl acetate
CID 89122366
2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine
CID 154979177
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
prop-2-enyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 88876776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 166932546) is 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is C=CC(=C)OCCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is GYENAKHEEZEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO8/c1-3-20(2)29-19-18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21/h3H,1-2,4-19,21H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 421.53 g/mol, XLogP of 0.78, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 166932546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).