Xestamine E; N1-Me 

AlkaPlorer ID: AK317988

Synonym: Xestamine H

IUPAC Name: N-methoxy-N-methyl-15-(1-methylpyridin-1-ium-3-yl)pentadecan-1-amine

Structure

SMILES: CON(C)CCCCCCCCCCCCCCCC1=C[N+](C)=CC=C1

copy

InChI: InChI=1S/C23H43N2O/c1-24-20-17-19-23(22-24)18-15-13-11-9-7-5-4-6-8-10-12-14-16-21-25(2)26-3/h17,19-20,22H,4-16,18,21H2,1-3H3/q+1

copy

InChIKey: UCGOBIVMMZGWNF-UHFFFAOYSA-N

copy

Reference

PubChem CID: 23427111

CAS: 136945-80-7

SuperNatural Ⅲ: SN0366550

NPASS: NPC301580

Properties Information

Molecule Weight: 363.61

TPSA: 16.35

MolLogP: 5.618100000000006

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information