2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C16H34N4O7 — CID 51341045

IUPAC2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C16H34N4O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-17H2
InChIKeyVZKXLNRXAFTBOW-UHFFFAOYSA-N
MW394.47 g/mol
LogP0.37
Rot. Bonds23

About 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 51341045) has the molecular formula C16H34N4O7 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID51341045
Molecular FormulaC16H34N4O7
Molecular Weight394.47 g/mol
Exact Mass394.24
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C16H34N4O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-17H2
InChIKeyVZKXLNRXAFTBOW-UHFFFAOYSA-N
XLogP0.37
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 51341045) is 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is VZKXLNRXAFTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O7/c17-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-19-20-18/h1-17H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 394.47 g/mol, XLogP of 0.37, 23 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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 51341045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).