4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane

C15H32N2O4 — CID 153363476

IUPAC4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane
SMILESCC1CN(C)CCOCCCOCCNCCOCCO1
InChIInChI=1S/C15H32N2O4/c1-15-14-17(2)6-11-19-8-3-7-18-9-4-16-5-10-20-12-13-21-15/h15-16H,3-14H2,1-2H3
InChIKeyHJGAZPMOZWMZOF-UHFFFAOYSA-N
MW304.43 g/mol
LogP0.37
Rot. Bonds

About 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane

4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane (PubChem CID 153363476) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane.

Molecular Properties

Compound Name4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane
PubChem CID153363476
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane
SMILESCC1CN(C)CCOCCCOCCNCCOCCO1
InChIInChI=1S/C15H32N2O4/c1-15-14-17(2)6-11-19-8-3-7-18-9-4-16-5-10-20-12-13-21-15/h15-16H,3-14H2,1-2H3
InChIKeyHJGAZPMOZWMZOF-UHFFFAOYSA-N
XLogP0.37
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane?
The IUPAC name of 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane (CID 153363476) is 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane.
What is the SMILES notation for 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane?
The canonical SMILES for 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane is CC1CN(C)CCOCCCOCCNCCOCCO1.
What is the InChIKey of 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane?
The InChIKey is HJGAZPMOZWMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-15-14-17(2)6-11-19-8-3-7-18-9-4-16-5-10-20-12-13-21-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane?
4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane has a molecular weight of 304.43 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane is sourced from PubChem (CID 153363476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).