1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane

C14H31N3O4 — CID 10063702

IUPAC1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
SMILESC1CNCCOCCOCCOCCOCCNCCN1
InChIInChI=1S/C14H31N3O4/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15-17H,1-14H2
InChIKeyNMJWGOIHRQSARG-UHFFFAOYSA-N
MW305.42 g/mol
LogP-1.16
Rot. Bonds

About 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane

1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane (PubChem CID 10063702) has the molecular formula C14H31N3O4 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
PubChem CID10063702
Molecular FormulaC14H31N3O4
Molecular Weight305.42 g/mol
Exact Mass305.23
IUPAC Name1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
SMILESC1CNCCOCCOCCOCCOCCNCCN1
InChIInChI=1S/C14H31N3O4/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15-17H,1-14H2
InChIKeyNMJWGOIHRQSARG-UHFFFAOYSA-N
XLogP-1.16
TPSA73.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane?
The IUPAC name of 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane (CID 10063702) is 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane.
What is the SMILES notation for 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane?
The canonical SMILES for 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane is C1CNCCOCCOCCOCCOCCNCCN1.
What is the InChIKey of 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane?
The InChIKey is NMJWGOIHRQSARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O4/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15-17H,1-14H2.
What are the key properties of 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane?
1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane has a molecular weight of 305.42 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane is sourced from PubChem (CID 10063702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).