Hobartine; (±)-form

AlkaPlorer ID: AK263142

Synonym: None

IUPAC Name: 3-[(4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl)methyl]-1H-indole

Structure

SMILES: CC1=CCC2CC1C(CC1=CNC3=CC=CC=C13)NC2(C)C

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InChI: InChI=1S/C20H26N2/c1-13-8-9-15-11-17(13)19(22-20(15,2)3)10-14-12-21-18-7-5-4-6-16(14)18/h4-8,12,15,17,19,21-22H,9-11H2,1-3H3

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InChIKey: NSDQMUJDDVITQX-UHFFFAOYSA-N

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Reference

PubChem CID: 14636495

COCONUT: CNP0292434

Source

Properties Information

Molecule Weight: 294.4420000000001

TPSA: 27.82

MolLogP: 4.433300000000003

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information