2-ethoxy-1-azacyclotridecene

C14H27NO — CID 13058817

IUPAC2-ethoxy-1-azacyclotridecene
SMILESCCO/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C14H27NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-14/h2-13H2,1H3/b15-14+
InChIKeyWPBLJBCDXDIBNL-CCEZHUSRSA-N
MW225.38 g/mol
LogP4.34
Rot. Bonds1

About 2-ethoxy-1-azacyclotridecene

2-ethoxy-1-azacyclotridecene (PubChem CID 13058817) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-ethoxy-1-azacyclotridecene.

Molecular Properties

Compound Name2-ethoxy-1-azacyclotridecene
PubChem CID13058817
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-ethoxy-1-azacyclotridecene
SMILESCCO/C1=N/CCCCCCCCCCC1
InChIInChI=1S/C14H27NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-14/h2-13H2,1H3/b15-14+
InChIKeyWPBLJBCDXDIBNL-CCEZHUSRSA-N
XLogP4.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-azacyclotridecene?
The IUPAC name of 2-ethoxy-1-azacyclotridecene (CID 13058817) is 2-ethoxy-1-azacyclotridecene.
What is the SMILES notation for 2-ethoxy-1-azacyclotridecene?
The canonical SMILES for 2-ethoxy-1-azacyclotridecene is CCO/C1=N/CCCCCCCCCCC1.
What is the InChIKey of 2-ethoxy-1-azacyclotridecene?
The InChIKey is WPBLJBCDXDIBNL-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-14/h2-13H2,1H3/b15-14+.
What are the key properties of 2-ethoxy-1-azacyclotridecene?
2-ethoxy-1-azacyclotridecene has a molecular weight of 225.38 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-azacyclotridecene is sourced from PubChem (CID 13058817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).