1,4,7,10-tetraoxa-13,16-diazacyclooctadecane

C12H26N2O4 — CID 10706622

IUPAC1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
SMILESC1CNCCOCCOCCOCCOCCN1
InChIInChI=1S/C12H26N2O4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h13-14H,1-12H2
InChIKeyFQMZAUZTIHXHCN-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.75
Rot. Bonds

About 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane

1,4,7,10-tetraoxa-13,16-diazacyclooctadecane (PubChem CID 10706622) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
PubChem CID10706622
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
SMILESC1CNCCOCCOCCOCCOCCN1
InChIInChI=1S/C12H26N2O4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h13-14H,1-12H2
InChIKeyFQMZAUZTIHXHCN-UHFFFAOYSA-N
XLogP-0.75
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
CID 10063702
1,7-dioxa-4,10-diazacyclododecane;piperazine;1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 158651614
morpholine;piperazine
CID 22665942
1,4,7-trioxa-10-azacyclododecane
CID 545817
morpholine;sulfane
CID 70348588
morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219
CID 87713044
CID 87713044
bromonickel;1,4,16,19-tetraoxa-7,10,13,22,25,28-hexazacyclotriacontane;tetrahydrate
CID 53471170
molecular iodine;morpholine
CID 11313835
ethane;morpholine
CID 91516807
cyclobutane;morpholine
CID 158402895

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The IUPAC name of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane (CID 10706622) is 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane.
What is the SMILES notation for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The canonical SMILES for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane is C1CNCCOCCOCCOCCOCCN1.
What is the InChIKey of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The InChIKey is FQMZAUZTIHXHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h13-14H,1-12H2.
What are the key properties of 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
1,4,7,10-tetraoxa-13,16-diazacyclooctadecane has a molecular weight of 262.35 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13,16-diazacyclooctadecane is sourced from PubChem (CID 10706622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).