9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane

C12H26N2O3 — CID 13177745

IUPAC9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESCC1CNCCOCCOCCNCC(C)O1
InChIInChI=1S/C12H26N2O3/c1-11-9-13-3-5-15-7-8-16-6-4-14-10-12(2)17-11/h11-14H,3-10H2,1-2H3
InChIKeyHFJQURAEUJHNJT-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.01
Rot. Bonds

About 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane

9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane (PubChem CID 13177745) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.

Molecular Properties

Compound Name9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
PubChem CID13177745
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESCC1CNCCOCCOCCNCC(C)O1
InChIInChI=1S/C12H26N2O3/c1-11-9-13-3-5-15-7-8-16-6-4-14-10-12(2)17-11/h11-14H,3-10H2,1-2H3
InChIKeyHFJQURAEUJHNJT-UHFFFAOYSA-N
XLogP0.01
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The IUPAC name of 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane (CID 13177745) is 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.
What is the SMILES notation for 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The canonical SMILES for 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane is CC1CNCCOCCOCCNCC(C)O1.
What is the InChIKey of 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The InChIKey is HFJQURAEUJHNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11-9-13-3-5-15-7-8-16-6-4-14-10-12(2)17-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane has a molecular weight of 246.35 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane is sourced from PubChem (CID 13177745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).