1,4,7,10-tetraoxa-13-azacyclopentadecane

C10H21NO4 — CID 544820

IUPAC1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESC1COCCOCCOCCOCCN1
InChIInChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKeyBJUOQSZSDIHZNP-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.34
Rot. Bonds

About 1,4,7,10-tetraoxa-13-azacyclopentadecane

1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 544820) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID544820
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESC1COCCOCCOCCOCCN1
InChIInChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKeyBJUOQSZSDIHZNP-UHFFFAOYSA-N
XLogP-0.34
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4,10-Trioxa-7,13-diazacyclopentadecane
CID 123435
Diaza-18-crown-6
CID 72805
1,7-Dioxa-4,10-diazacyclododecane
CID 67522
1,4,7,13-Tetraoxa-10,16-diaza-cyclooctadecane
CID 4212960
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
CID 118578
1,4,7-Trioxa-10-azacyclododecane
CID 545817
1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane
CID 90322
Bis(2-ethoxyethyl)amine
CID 547396
Poly(oxy-1,2-ethanediyl), alpha-(2-(methylamino)ethyl)-omega-(2-(methylamino)ethoxy)-
CID 91958
2-Propanamine, N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-2-methyl-
CID 86260607
2-(2-((2-(2-Hydroxyethoxy)ethyl)amino)ethoxy)ethan-1-ol
CID 12212447
Bis(2-(2-methoxyethoxy)ethyl)amine
CID 79808

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 544820) is 1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 1,4,7,10-tetraoxa-13-azacyclopentadecane is C1COCCOCCOCCOCCN1.
What is the InChIKey of 1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is BJUOQSZSDIHZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2.
What are the key properties of 1,4,7,10-tetraoxa-13-azacyclopentadecane?
1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 219.28 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 544820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).