3-azido-4-ethylmorpholine

C6H12N4O — CID 152521833

IUPAC3-azido-4-ethylmorpholine
SMILESCCN1CCOCC1N=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-2-10-3-4-11-5-6(10)8-9-7/h6H,2-5H2,1H3
InChIKeyYHRMUONHWFZOTQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.97
Rot. Bonds2

About 3-azido-4-ethylmorpholine

3-azido-4-ethylmorpholine (PubChem CID 152521833) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-azido-4-ethylmorpholine.

Molecular Properties

Compound Name3-azido-4-ethylmorpholine
PubChem CID152521833
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name3-azido-4-ethylmorpholine
SMILESCCN1CCOCC1N=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-2-10-3-4-11-5-6(10)8-9-7/h6H,2-5H2,1H3
InChIKeyYHRMUONHWFZOTQ-UHFFFAOYSA-N
XLogP0.97
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 3-azido-4-ethylmorpholine?
The IUPAC name of 3-azido-4-ethylmorpholine (CID 152521833) is 3-azido-4-ethylmorpholine.
What is the SMILES notation for 3-azido-4-ethylmorpholine?
The canonical SMILES for 3-azido-4-ethylmorpholine is CCN1CCOCC1N=[N+]=[N-].
What is the InChIKey of 3-azido-4-ethylmorpholine?
The InChIKey is YHRMUONHWFZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-10-3-4-11-5-6(10)8-9-7/h6H,2-5H2,1H3.
What are the key properties of 3-azido-4-ethylmorpholine?
3-azido-4-ethylmorpholine has a molecular weight of 156.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-ethylmorpholine is sourced from PubChem (CID 152521833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).