1-azabicyclo[8.8.8]hexacosane

C25H49N — CID 66583548

IUPAC1-azabicyclo[8.8.8]hexacosane
SMILESC1CCCCN2CCCCCCCCC(CCC1)CCCCCCCC2
InChIInChI=1S/C25H49N/c1-4-10-16-22-26-23-17-11-5-2-8-14-20-25(19-13-7-1)21-15-9-3-6-12-18-24-26/h25H,1-24H2
InChIKeyJJNSEGANQYBWLN-UHFFFAOYSA-N
MW363.67 g/mol
LogP8.12
Rot. Bonds

About 1-azabicyclo[8.8.8]hexacosane

1-azabicyclo[8.8.8]hexacosane (PubChem CID 66583548) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is 1-azabicyclo[8.8.8]hexacosane.

Molecular Properties

Compound Name1-azabicyclo[8.8.8]hexacosane
PubChem CID66583548
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name1-azabicyclo[8.8.8]hexacosane
SMILESC1CCCCN2CCCCCCCCC(CCC1)CCCCCCCC2
InChIInChI=1S/C25H49N/c1-4-10-16-22-26-23-17-11-5-2-8-14-20-25(19-13-7-1)21-15-9-3-6-12-18-24-26/h25H,1-24H2
InChIKeyJJNSEGANQYBWLN-UHFFFAOYSA-N
XLogP8.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[8.8.8]hexacosane?
The IUPAC name of 1-azabicyclo[8.8.8]hexacosane (CID 66583548) is 1-azabicyclo[8.8.8]hexacosane.
What is the SMILES notation for 1-azabicyclo[8.8.8]hexacosane?
The canonical SMILES for 1-azabicyclo[8.8.8]hexacosane is C1CCCCN2CCCCCCCCC(CCC1)CCCCCCCC2.
What is the InChIKey of 1-azabicyclo[8.8.8]hexacosane?
The InChIKey is JJNSEGANQYBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N/c1-4-10-16-22-26-23-17-11-5-2-8-14-20-25(19-13-7-1)21-15-9-3-6-12-18-24-26/h25H,1-24H2.
What are the key properties of 1-azabicyclo[8.8.8]hexacosane?
1-azabicyclo[8.8.8]hexacosane has a molecular weight of 363.67 g/mol, XLogP of 8.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[8.8.8]hexacosane is sourced from PubChem (CID 66583548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).