1,4,7-trioxa-10,13-diazacyclopentadecane

C10H22N2O3 — CID 10656458

IUPAC1,4,7-trioxa-10,13-diazacyclopentadecane
SMILESC1CNCCOCCOCCOCCN1
InChIInChI=1S/C10H22N2O3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2
InChIKeyHVPIIRJYGHPRDH-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.77
Rot. Bonds

About 1,4,7-trioxa-10,13-diazacyclopentadecane

1,4,7-trioxa-10,13-diazacyclopentadecane (PubChem CID 10656458) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,4,7-trioxa-10,13-diazacyclopentadecane.

Molecular Properties

Compound Name1,4,7-trioxa-10,13-diazacyclopentadecane
PubChem CID10656458
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name1,4,7-trioxa-10,13-diazacyclopentadecane
SMILESC1CNCCOCCOCCOCCN1
InChIInChI=1S/C10H22N2O3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2
InChIKeyHVPIIRJYGHPRDH-UHFFFAOYSA-N
XLogP-0.77
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 ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trioxa-10,13-diazacyclopentadecane?
The IUPAC name of 1,4,7-trioxa-10,13-diazacyclopentadecane (CID 10656458) is 1,4,7-trioxa-10,13-diazacyclopentadecane.
What is the SMILES notation for 1,4,7-trioxa-10,13-diazacyclopentadecane?
The canonical SMILES for 1,4,7-trioxa-10,13-diazacyclopentadecane is C1CNCCOCCOCCOCCN1.
What is the InChIKey of 1,4,7-trioxa-10,13-diazacyclopentadecane?
The InChIKey is HVPIIRJYGHPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2.
What are the key properties of 1,4,7-trioxa-10,13-diazacyclopentadecane?
1,4,7-trioxa-10,13-diazacyclopentadecane has a molecular weight of 218.30 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trioxa-10,13-diazacyclopentadecane is sourced from PubChem (CID 10656458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).