1,4-diazabicyclo[2.2.2]octane

AlkaPlorer ID: AK097578

Synonym: None

IUPAC Name: 1,4-diazabicyclo[2.2.2]octane

Structure

SMILES: C1CN2CCN1CC2

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InChI: InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

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InChIKey: IMNIMPAHZVJRPE-UHFFFAOYSA-N

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Reference

PubChem CID: 9237

CAS: 280-57-9

NPASS: NPC89546

COCONUT: CNP0373566

Properties Information

Molecule Weight: 112.176

TPSA: 6.48

MolLogP: -0.3824000000000001

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information