Villatamine A

AlkaPlorer ID: AK317639

Synonym: 2-(5,7-Dodecadien-3-ynyl)-1-ethylpyrrolidine

IUPAC Name: 2-[(5E,7E)-dodeca-5,7-dien-3-ynyl]-1-ethylpyrrolidine

Structure

SMILES: CCCC/C=C/C=C/C#CCCC1CCCN1CC

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InChI: InChI=1S/C18H29N/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(18)4-2/h7-10,18H,3-6,13-17H2,1-2H3/b8-7+,10-9+

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InChIKey: ZCJUZWLIHYUVKF-XBLVEGMJSA-N

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Reference

PubChem CID: 21589580

CAS: 168434-14-8

Properties Information

Molecule Weight: 259.4369999999999

TPSA: 3.24

MolLogP: 4.556900000000004

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information