5-cyclononyl-1-ethyltriazolidine

C13H27N3 — CID 123656529

IUPAC5-cyclononyl-1-ethyltriazolidine
SMILESCCN1NNCC1C1CCCCCCCC1
InChIInChI=1S/C13H27N3/c1-2-16-13(11-14-15-16)12-9-7-5-3-4-6-8-10-12/h12-15H,2-11H2,1H3
InChIKeyXWZCFVPSTKMVIO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.45
Rot. Bonds2

About 5-cyclononyl-1-ethyltriazolidine

5-cyclononyl-1-ethyltriazolidine (PubChem CID 123656529) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-cyclononyl-1-ethyltriazolidine.

Molecular Properties

Compound Name5-cyclononyl-1-ethyltriazolidine
PubChem CID123656529
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5-cyclononyl-1-ethyltriazolidine
SMILESCCN1NNCC1C1CCCCCCCC1
InChIInChI=1S/C13H27N3/c1-2-16-13(11-14-15-16)12-9-7-5-3-4-6-8-10-12/h12-15H,2-11H2,1H3
InChIKeyXWZCFVPSTKMVIO-UHFFFAOYSA-N
XLogP2.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclononyl-1-ethyltriazolidine?
The IUPAC name of 5-cyclononyl-1-ethyltriazolidine (CID 123656529) is 5-cyclononyl-1-ethyltriazolidine.
What is the SMILES notation for 5-cyclononyl-1-ethyltriazolidine?
The canonical SMILES for 5-cyclononyl-1-ethyltriazolidine is CCN1NNCC1C1CCCCCCCC1.
What is the InChIKey of 5-cyclononyl-1-ethyltriazolidine?
The InChIKey is XWZCFVPSTKMVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-16-13(11-14-15-16)12-9-7-5-3-4-6-8-10-12/h12-15H,2-11H2,1H3.
What are the key properties of 5-cyclononyl-1-ethyltriazolidine?
5-cyclononyl-1-ethyltriazolidine has a molecular weight of 225.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclononyl-1-ethyltriazolidine is sourced from PubChem (CID 123656529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).