8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane

C14H30N2O3 — CID 13177744

IUPAC8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESCCC1COCC(CC)NCCOCCOCCN1
InChIInChI=1S/C14H30N2O3/c1-3-13-11-19-12-14(4-2)16-6-8-18-10-9-17-7-5-15-13/h13-16H,3-12H2,1-2H3
InChIKeyXXFWDBRKDHCGRU-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.79
Rot. Bonds2

About 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane

8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane (PubChem CID 13177744) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.

Molecular Properties

Compound Name8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
PubChem CID13177744
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESCCC1COCC(CC)NCCOCCOCCN1
InChIInChI=1S/C14H30N2O3/c1-3-13-11-19-12-14(4-2)16-6-8-18-10-9-17-7-5-15-13/h13-16H,3-12H2,1-2H3
InChIKeyXXFWDBRKDHCGRU-UHFFFAOYSA-N
XLogP0.79
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The IUPAC name of 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane (CID 13177744) is 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.
What is the SMILES notation for 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The canonical SMILES for 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane is CCC1COCC(CC)NCCOCCOCCN1.
What is the InChIKey of 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
The InChIKey is XXFWDBRKDHCGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-13-11-19-12-14(4-2)16-6-8-18-10-9-17-7-5-15-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane?
8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane has a molecular weight of 274.40 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-diethyl-1,4,10-trioxa-7,13-diazacyclopentadecane is sourced from PubChem (CID 13177744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).