11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

C12H25NO4 — CID 12717859

IUPAC11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCC1CNCC(C)OCCOCCOCCO1
InChIInChI=1S/C12H25NO4/c1-11-9-13-10-12(2)17-8-6-15-4-3-14-5-7-16-11/h11-13H,3-10H2,1-2H3
InChIKeyHXTDELPHJPMEDJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.43
Rot. Bonds

About 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 12717859) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID12717859
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCC1CNCC(C)OCCOCCOCCO1
InChIInChI=1S/C12H25NO4/c1-11-9-13-10-12(2)17-8-6-15-4-3-14-5-7-16-11/h11-13H,3-10H2,1-2H3
InChIKeyHXTDELPHJPMEDJ-UHFFFAOYSA-N
XLogP0.43
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 12717859) is 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane is CC1CNCC(C)OCCOCCOCCO1.
What is the InChIKey of 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is HXTDELPHJPMEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11-9-13-10-12(2)17-8-6-15-4-3-14-5-7-16-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 247.33 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 12717859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).