2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine

C26H60N10O9 — CID 163523184

IUPAC2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCNCCOCCOCCOCCN.CNCCOCCOCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C9H20N4O3.C9H22N2O3.C8H18N4O3/c1-11-2-4-14-6-8-16-9-7-15-5-3-12-13-10;1-11-3-5-13-7-9-14-8-6-12-4-2-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h11H,2-9H2,1H3;11H,2-10H2,1H3;1-9H2
InChIKeyDMPBYCWQIRTRKJ-UHFFFAOYSA-N
MW656.83 g/mol
LogP0.09
Rot. Bonds34

About 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 163523184) has the molecular formula C26H60N10O9 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID163523184
Molecular FormulaC26H60N10O9
Molecular Weight656.83 g/mol
Exact Mass656.45
IUPAC Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCNCCOCCOCCOCCN.CNCCOCCOCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCCOCCN
InChIInChI=1S/C9H20N4O3.C9H22N2O3.C8H18N4O3/c1-11-2-4-14-6-8-16-9-7-15-5-3-12-13-10;1-11-3-5-13-7-9-14-8-6-12-4-2-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h11H,2-9H2,1H3;11H,2-10H2,1H3;1-9H2
InChIKeyDMPBYCWQIRTRKJ-UHFFFAOYSA-N
XLogP0.09
TPSA256.69 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

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-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine (CID 163523184) is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine is CNCCOCCOCCOCCN.CNCCOCCOCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is DMPBYCWQIRTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3.C9H22N2O3.C8H18N4O3/c1-11-2-4-14-6-8-16-9-7-15-5-3-12-13-10;1-11-3-5-13-7-9-14-8-6-12-4-2-10;9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h11H,2-9H2,1H3;11H,2-10H2,1H3;1-9H2.
What are the key properties of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 656.83 g/mol, XLogP of 0.09, 34 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 163523184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).