bis(1-azabicyclo[2.2.2]octane);molecular bromine

C14H26Br2N2 — CID 86052013

IUPACbis(1-azabicyclo[2.2.2]octane);molecular bromine
SMILESBrBr.C1CN2CCC1CC2.C1CN2CCC1CC2
InChIInChI=1S/2C7H13N.Br2/c2*1-4-8-5-2-7(1)3-6-8;1-2/h2*7H,1-6H2;
InChIKeyJXNKGUFDDVZCQH-UHFFFAOYSA-N
MW382.18 g/mol
LogP3.90
Rot. Bonds

About bis(1-azabicyclo[2.2.2]octane);molecular bromine

bis(1-azabicyclo[2.2.2]octane);molecular bromine (PubChem CID 86052013) has the molecular formula C14H26Br2N2 and a molecular weight of 382.18 g/mol. Its IUPAC name is bis(1-azabicyclo[2.2.2]octane);molecular bromine.

Molecular Properties

Compound Namebis(1-azabicyclo[2.2.2]octane);molecular bromine
PubChem CID86052013
Molecular FormulaC14H26Br2N2
Molecular Weight382.18 g/mol
Exact Mass380.05
IUPAC Namebis(1-azabicyclo[2.2.2]octane);molecular bromine
SMILESBrBr.C1CN2CCC1CC2.C1CN2CCC1CC2
InChIInChI=1S/2C7H13N.Br2/c2*1-4-8-5-2-7(1)3-6-8;1-2/h2*7H,1-6H2;
InChIKeyJXNKGUFDDVZCQH-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1-azabicyclo[2.2.2]octane);molecular bromine?
The IUPAC name of bis(1-azabicyclo[2.2.2]octane);molecular bromine (CID 86052013) is bis(1-azabicyclo[2.2.2]octane);molecular bromine.
What is the SMILES notation for bis(1-azabicyclo[2.2.2]octane);molecular bromine?
The canonical SMILES for bis(1-azabicyclo[2.2.2]octane);molecular bromine is BrBr.C1CN2CCC1CC2.C1CN2CCC1CC2.
What is the InChIKey of bis(1-azabicyclo[2.2.2]octane);molecular bromine?
The InChIKey is JXNKGUFDDVZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.Br2/c2*1-4-8-5-2-7(1)3-6-8;1-2/h2*7H,1-6H2;.
What are the key properties of bis(1-azabicyclo[2.2.2]octane);molecular bromine?
bis(1-azabicyclo[2.2.2]octane);molecular bromine has a molecular weight of 382.18 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-azabicyclo[2.2.2]octane);molecular bromine is sourced from PubChem (CID 86052013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).