2,3,4,5-Tetrahydro-6-propylpyridine

AlkaPlorer ID: AK000340

Synonym: γ-Coniceine, 2-Propyl-Δ1-piperideine 

IUPAC Name: 6-propyl-2,3,4,5-tetrahydropyridin-1-ium

Structure

SMILES: CCCC1=[NH+]CCCC1

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InChI: InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3/p+1

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InChIKey: PQSOVRNZJIENNW-UHFFFAOYSA-O

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Properties Information

Molecule Weight: 126.223

TPSA: 13.97

MolLogP: 0.4919999999999998

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT007375 CCCC(=O)CCCCN>>CCCC1=NCCCC1 RXN-8981
AKRT007485 CCCC1=NCCCC1>>CCC(=O)C1CCCCN1 RXN-13525
AKRT007486 CCCC1=NCCCC1>>CCCC1CCC(O)C=N1 RXN-13524
AKRT007487 CCCC1=NCCCC1>>CCCC1CCCCN1 RXN-8982
AKRT007488 CCCC1=NCCCC1>>CCC[C@@H]1CCCCN1 enzymemap_23242