N-{4-ethenyl-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,?.0¹³,¹?]hexadeca-1(15),9(16),10,12-tetraen-3-yl}methanimine

AlkaPlorer ID: AK356834

Synonym: None

IUPAC Name: N-[(2S,3R,4R,7S)-4-ethenyl-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraen-3-yl]methanimine

Structure

SMILES: C=C[C@@]1(C)CC[C@H]2[C@@H](C3=CNC4=C3C(=CC=C4)C2(C)C)[C@H]1N=C

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InChI: InChI=1S/C21H26N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,5,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1

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InChIKey: CNYKHMCKXJOMHI-ZRRCRCOKSA-N

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Source

Properties Information

Molecule Weight: 306.4530000000001

TPSA: 28.15

MolLogP: 5.214200000000005

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information