1-azido-2-(2-methoxyethoxy)ethane

C5H11N3O2 — CID 10034751

IUPAC1-azido-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C5H11N3O2/c1-9-4-5-10-3-2-7-8-6/h2-5H2,1H3
InChIKeyOXDZFVNIVMSPEG-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.96
Rot. Bonds6

About 1-azido-2-(2-methoxyethoxy)ethane

1-azido-2-(2-methoxyethoxy)ethane (PubChem CID 10034751) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-azido-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name1-azido-2-(2-methoxyethoxy)ethane
PubChem CID10034751
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-azido-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C5H11N3O2/c1-9-4-5-10-3-2-7-8-6/h2-5H2,1H3
InChIKeyOXDZFVNIVMSPEG-UHFFFAOYSA-N
XLogP0.96
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-azido-2-(2-methoxyethoxy)ethane?
The IUPAC name of 1-azido-2-(2-methoxyethoxy)ethane (CID 10034751) is 1-azido-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for 1-azido-2-(2-methoxyethoxy)ethane?
The canonical SMILES for 1-azido-2-(2-methoxyethoxy)ethane is COCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-(2-methoxyethoxy)ethane?
The InChIKey is OXDZFVNIVMSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-9-4-5-10-3-2-7-8-6/h2-5H2,1H3.
What are the key properties of 1-azido-2-(2-methoxyethoxy)ethane?
1-azido-2-(2-methoxyethoxy)ethane has a molecular weight of 145.16 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 10034751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).