19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

C15H31NO6 — CID 6612303

IUPAC19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
SMILESCN1CCOCCOCCOCCOCCOCCOCC1
InChIInChI=1S/C15H31NO6/c1-16-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h2-15H2,1H3
InChIKeyNJXPKQHZNXXTJE-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.03
Rot. Bonds

About 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane (PubChem CID 6612303) has the molecular formula C15H31NO6 and a molecular weight of 321.41 g/mol. Its IUPAC name is 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane.

Molecular Properties

Compound Name19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
PubChem CID6612303
Molecular FormulaC15H31NO6
Molecular Weight321.41 g/mol
Exact Mass321.22
IUPAC Name19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
SMILESCN1CCOCCOCCOCCOCCOCCOCC1
InChIInChI=1S/C15H31NO6/c1-16-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h2-15H2,1H3
InChIKeyNJXPKQHZNXXTJE-UHFFFAOYSA-N
XLogP0.03
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The IUPAC name of 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane (CID 6612303) is 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane.
What is the SMILES notation for 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The canonical SMILES for 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane is CN1CCOCCOCCOCCOCCOCCOCC1.
What is the InChIKey of 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
The InChIKey is NJXPKQHZNXXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO6/c1-16-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h2-15H2,1H3.
What are the key properties of 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane?
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane has a molecular weight of 321.41 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane is sourced from PubChem (CID 6612303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).