3,7-Dibenzyl-3,7-diazabicyclo[3.3.1]nonane

HCID 47341CAS 59009-71-1
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Basic information

Standard SMILES
c1ccc(CN2CC3CC(C2)CN(Cc2ccccc2)C3)cc1
InChIKey
AOELDAGSFOHVFW-UHFFFAOYSA-N
Molecular formula
C21H26N2
Average molar mass
306.4 g/mol
Monoisotopic mass
306.20959883

Names & identifiers

Preferred name
3,7-Dibenzyl-3,7-diazabicyclo[3.3.1]nonane
IUPAC
3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonane

Names & synonyms

3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonane59009-71-1SCHEMBL2955795CHEMBL3305145DTXSID40275513AOELDAGSFOHVFW-UHFFFAOYSA-N3,7-dibenzyl-3.7-diazabicyclo[3.3.1]nonane

Database identifiers

CAS
59009-71-1
PubChem CID
47341
DTXSID
DTXSID40275513
ChEMBL
CHEMBL3305145
Nikkaji
J1.251.976A

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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