1,2,3-trioxa-6,12-diazacyclopentadecane

C10H22N2O3 — CID 141220114

IUPAC1,2,3-trioxa-6,12-diazacyclopentadecane
SMILESC1CCNCCCOOOCCNCC1
InChIInChI=1S/C10H22N2O3/c1-2-5-11-7-4-9-13-15-14-10-8-12-6-3-1/h11-12H,1-10H2
InChIKeyIAKDWOPTKHLTTC-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.62
Rot. Bonds

About 1,2,3-trioxa-6,12-diazacyclopentadecane

1,2,3-trioxa-6,12-diazacyclopentadecane (PubChem CID 141220114) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2,3-trioxa-6,12-diazacyclopentadecane.

Molecular Properties

Compound Name1,2,3-trioxa-6,12-diazacyclopentadecane
PubChem CID141220114
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name1,2,3-trioxa-6,12-diazacyclopentadecane
SMILESC1CCNCCCOOOCCNCC1
InChIInChI=1S/C10H22N2O3/c1-2-5-11-7-4-9-13-15-14-10-8-12-6-3-1/h11-12H,1-10H2
InChIKeyIAKDWOPTKHLTTC-UHFFFAOYSA-N
XLogP0.62
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trioxacyclotridecane
CID 173021633
azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
morpholine;pyrrolidine
CID 159577273
1-oxa-4,16-diazacyclohenicosane
CID 66747485
morpholine;oxane;piperidine
CID 143301989
trioxane
CID 88655753
trioxepane
CID 22026430

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trioxa-6,12-diazacyclopentadecane?
The IUPAC name of 1,2,3-trioxa-6,12-diazacyclopentadecane (CID 141220114) is 1,2,3-trioxa-6,12-diazacyclopentadecane.
What is the SMILES notation for 1,2,3-trioxa-6,12-diazacyclopentadecane?
The canonical SMILES for 1,2,3-trioxa-6,12-diazacyclopentadecane is C1CCNCCCOOOCCNCC1.
What is the InChIKey of 1,2,3-trioxa-6,12-diazacyclopentadecane?
The InChIKey is IAKDWOPTKHLTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-2-5-11-7-4-9-13-15-14-10-8-12-6-3-1/h11-12H,1-10H2.
What are the key properties of 1,2,3-trioxa-6,12-diazacyclopentadecane?
1,2,3-trioxa-6,12-diazacyclopentadecane has a molecular weight of 218.30 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trioxa-6,12-diazacyclopentadecane is sourced from PubChem (CID 141220114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).