1,2-diazabicyclo[8.8.8]hexacos-10-ene

C24H46N2 — CID 66584611

IUPAC1,2-diazabicyclo[8.8.8]hexacos-10-ene
SMILESC1=C2CCCCCCCCN(CCCCCCC1)NCCCCCCC2
InChIInChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h18,25H,1-17,19-23H2
InChIKeyLZCZISVZJUFZBJ-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.16
Rot. Bonds

About 1,2-diazabicyclo[8.8.8]hexacos-10-ene

1,2-diazabicyclo[8.8.8]hexacos-10-ene (PubChem CID 66584611) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 1,2-diazabicyclo[8.8.8]hexacos-10-ene.

Molecular Properties

Compound Name1,2-diazabicyclo[8.8.8]hexacos-10-ene
PubChem CID66584611
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name1,2-diazabicyclo[8.8.8]hexacos-10-ene
SMILESC1=C2CCCCCCCCN(CCCCCCC1)NCCCCCCC2
InChIInChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h18,25H,1-17,19-23H2
InChIKeyLZCZISVZJUFZBJ-UHFFFAOYSA-N
XLogP7.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazabicyclo[8.8.8]hexacos-10-ene?
The IUPAC name of 1,2-diazabicyclo[8.8.8]hexacos-10-ene (CID 66584611) is 1,2-diazabicyclo[8.8.8]hexacos-10-ene.
What is the SMILES notation for 1,2-diazabicyclo[8.8.8]hexacos-10-ene?
The canonical SMILES for 1,2-diazabicyclo[8.8.8]hexacos-10-ene is C1=C2CCCCCCCCN(CCCCCCC1)NCCCCCCC2.
What is the InChIKey of 1,2-diazabicyclo[8.8.8]hexacos-10-ene?
The InChIKey is LZCZISVZJUFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h18,25H,1-17,19-23H2.
What are the key properties of 1,2-diazabicyclo[8.8.8]hexacos-10-ene?
1,2-diazabicyclo[8.8.8]hexacos-10-ene has a molecular weight of 362.65 g/mol, XLogP of 7.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazabicyclo[8.8.8]hexacos-10-ene is sourced from PubChem (CID 66584611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).