2-ethoxy-1-azacyclododecene

C13H25NO — CID 57022445

IUPAC2-ethoxy-1-azacyclododecene
SMILESCCO/C1=N\CCCCCCCCCC1
InChIInChI=1S/C13H25NO/c1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-13/h2-12H2,1H3/b14-13-
InChIKeyLPFDYVZVBPDXQR-YPKPFQOOSA-N
MW211.35 g/mol
LogP3.95
Rot. Bonds1

About 2-ethoxy-1-azacyclododecene

2-ethoxy-1-azacyclododecene (PubChem CID 57022445) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethoxy-1-azacyclododecene.

Molecular Properties

Compound Name2-ethoxy-1-azacyclododecene
PubChem CID57022445
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-ethoxy-1-azacyclododecene
SMILESCCO/C1=N\CCCCCCCCCC1
InChIInChI=1S/C13H25NO/c1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-13/h2-12H2,1H3/b14-13-
InChIKeyLPFDYVZVBPDXQR-YPKPFQOOSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-azacyclododecene?
The IUPAC name of 2-ethoxy-1-azacyclododecene (CID 57022445) is 2-ethoxy-1-azacyclododecene.
What is the SMILES notation for 2-ethoxy-1-azacyclododecene?
The canonical SMILES for 2-ethoxy-1-azacyclododecene is CCO/C1=N\CCCCCCCCCC1.
What is the InChIKey of 2-ethoxy-1-azacyclododecene?
The InChIKey is LPFDYVZVBPDXQR-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-13/h2-12H2,1H3/b14-13-.
What are the key properties of 2-ethoxy-1-azacyclododecene?
2-ethoxy-1-azacyclododecene has a molecular weight of 211.35 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-azacyclododecene is sourced from PubChem (CID 57022445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).