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The molecular formula is C21H37N.
The molecular weight is 303.5 g/mol.
The IUPAC name is 2-[(E)-but-1-enyl]-5-butyl-2,3,4-tripropylpyrrole.
The InChI is InChI=1S/C21H37N/c1-6-11-15-20-18(13-8-3)19(14-9-4)21(22-20,16-10-5)17-12-7-2/h12,17H,6-11,13-16H2,1-5H3/b17-12+.
The InChIKey is ATMXFLLVTBOMSU-SFQUDFHCSA-N.
The canonical SMILES is CCCCC1=NC(C(=C1CCC)CCC)(CCC)C=CCC.
The isomeric SMILES is CCCCC1=NC(C(=C1CCC)CCC)(CCC)/C=C/CC.
The XLogP3-AA value is 6.4.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 1.
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