1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne

C24H36N2 — CID 15448483

IUPAC1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne
SMILESC1#CCCCN2CCCC#CCCCN(CCC1)CCCC#CCCC2
InChIInChI=1S/C24H36N2/c1-2-8-14-20-26-23-17-11-5-3-9-15-21-25(19-13-7-1)22-16-10-4-6-12-18-24-26/h7-24H2
InChIKeyHKAFHCOKOUKHDE-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.31
Rot. Bonds

About 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne

1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne (PubChem CID 15448483) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne.

Molecular Properties

Compound Name1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne
PubChem CID15448483
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne
SMILESC1#CCCCN2CCCC#CCCCN(CCC1)CCCC#CCCC2
InChIInChI=1S/C24H36N2/c1-2-8-14-20-26-23-17-11-5-3-9-15-21-25(19-13-7-1)22-16-10-4-6-12-18-24-26/h7-24H2
InChIKeyHKAFHCOKOUKHDE-UHFFFAOYSA-N
XLogP4.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne?
The IUPAC name of 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne (CID 15448483) is 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne.
What is the SMILES notation for 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne?
The canonical SMILES for 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne is C1#CCCCN2CCCC#CCCCN(CCC1)CCCC#CCCC2.
What is the InChIKey of 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne?
The InChIKey is HKAFHCOKOUKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-2-8-14-20-26-23-17-11-5-3-9-15-21-25(19-13-7-1)22-16-10-4-6-12-18-24-26/h7-24H2.
What are the key properties of 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne?
1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne has a molecular weight of 352.57 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazabicyclo[8.8.8]hexacosa-5,14,22-triyne is sourced from PubChem (CID 15448483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).