(+)-N-methylconiine

AlkaPlorer ID: AK009627

Synonym: '(+)-N-methylconiine', 'Methylconiine', '(+)-N-Methylconiine', '(S)-1-methyl-2-propylpiperidine', 'N-Methylconiine'

IUPAC Name: (2R)-1-methyl-2-propylpiperidin-1-ium

Structure

SMILES: CCC[C@@H]1CCCC[NH+]1C

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InChI: InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/p+1/t9-/m1/s1

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InChIKey: CUBHREGSQFAWDJ-SECBINFHSA-O

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Reference

PubChem CID: 25203444

CAS: 35305-13-6

SuperNatural Ⅲ: SN0055605-01

NPASS: NPC71376

Properties Information

Molecule Weight: 142.26600000000002

TPSA: 4.44

MolLogP: 0.8537000000000001

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
AKRT007493 CCCC1CCCCN1.C[SAH]>>CCC[C@@H]1CCCCN1C RXN-8983