2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine

C13H28N4O5 — CID 102514821

IUPAC2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C13H28N4O5/c1-15-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16-17-14/h15H,2-13H2,1H3
InChIKeyDHHWWGQHCQSYRP-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.60
Rot. Bonds18

About 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 102514821) has the molecular formula C13H28N4O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
PubChem CID102514821
Molecular FormulaC13H28N4O5
Molecular Weight320.39 g/mol
Exact Mass320.21
IUPAC Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C13H28N4O5/c1-15-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16-17-14/h15H,2-13H2,1H3
InChIKeyDHHWWGQHCQSYRP-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 102514821) is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine is CNCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is DHHWWGQHCQSYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O5/c1-15-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16-17-14/h15H,2-13H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 320.39 g/mol, XLogP of 0.60, 18 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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 102514821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).