1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane

HCID 408693

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Basic information

CAS: 14870-72-5
Standard SMILES: C[N+]12CC[N+](C)(CC1)CC2
InChIKey: SESBXFAPJKDPLA-UHFFFAOYSA-N
Molecular formula: C8H18N2+2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane
IUPAC: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane

Names & synonyms

14870-72-51,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octaneNSC 286680DTXSID30164068RefChem:220654DTXCID00865591,4-Diazoniabicyclo[2.2.2]octane, 1,4-dimethyl-NSC286680NSC1513045733-46-81,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octaneSCHEMBL3391562

Show more names

SCHEMBL8773221SCHEMBL11756194SCHEMBL199757781,4-DIMETHYL-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUMNSC-286680NCGC00320106-01AB01316865-021,4-Dimethyl-1lambda~5~,4lambda~5~-diazabicyclo[2.2.2]octane

Database identifiers

CAS: 14870-72-5、5450-74-8
PubChem CID: 408693
DTXSID: DTXSID30164068
Nikkaji: J558.999A

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 2
Complexity: 111

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