4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane

C24H54N8 — CID 20663679

IUPAC4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
SMILESCN1CCN(C)CCN2CCN(C)CCN(C)CCN(CC1)CCN(C)CCN(C)CC2
InChIInChI=1S/C24H54N8/c1-25-7-8-26(2)14-22-32-23-17-29(5)11-9-27(3)15-20-31(19-13-25)21-16-28(4)10-12-30(6)18-24-32/h7-24H2,1-6H3
InChIKeyBGYHYHYZIQQDSD-UHFFFAOYSA-N
MW454.75 g/mol
LogP-0.79
Rot. Bonds

About 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane

4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane (PubChem CID 20663679) has the molecular formula C24H54N8 and a molecular weight of 454.75 g/mol. Its IUPAC name is 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane.

Molecular Properties

Compound Name4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
PubChem CID20663679
Molecular FormulaC24H54N8
Molecular Weight454.75 g/mol
Exact Mass454.45
IUPAC Name4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
SMILESCN1CCN(C)CCN2CCN(C)CCN(C)CCN(CC1)CCN(C)CCN(C)CC2
InChIInChI=1S/C24H54N8/c1-25-7-8-26(2)14-22-32-23-17-29(5)11-9-27(3)15-20-31(19-13-25)21-16-28(4)10-12-30(6)18-24-32/h7-24H2,1-6H3
InChIKeyBGYHYHYZIQQDSD-UHFFFAOYSA-N
XLogP-0.79
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.75
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane?
The IUPAC name of 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane (CID 20663679) is 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane.
What is the SMILES notation for 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane?
The canonical SMILES for 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane is CN1CCN(C)CCN2CCN(C)CCN(C)CCN(CC1)CCN(C)CCN(C)CC2.
What is the InChIKey of 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane?
The InChIKey is BGYHYHYZIQQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N8/c1-25-7-8-26(2)14-22-32-23-17-29(5)11-9-27(3)15-20-31(19-13-25)21-16-28(4)10-12-30(6)18-24-32/h7-24H2,1-6H3.
What are the key properties of 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane?
4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane has a molecular weight of 454.75 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,16,21,24-hexamethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane is sourced from PubChem (CID 20663679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).