General Information of the Compound
| Compound ID |
CP0004237
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| Compound Name |
(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
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| Synonyms |
(3E)-N-Methyl-4-(pyridin-3-yl)but-3-en-1-amine
(3E)-N-methyl-4-(3-pyridinyl)-3-buten-1-amine
(E)-Metanicotine
(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
15585-43-0
3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-
538-79-4
6H35LF645A
AI3-18211
But-3-en-1-amine, N-methyl-4-(pyridin-3-yl)-, (E)-
CHEMBL132966
Metanicotine
NSC 66331
Pyridine, 3-(4-(methylamino)-1-butenyl)-
RJR-2403
Rivanicline
Rivanicline [INN]
TC-2403
Trans-metanicotine
UNII-6H35LF645A
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| Structure |
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| Formula |
C10H14N2
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| Molecular Weight |
162.236
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| Canonical SMILES |
CNCC\C=C\c1cccnc1
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| InChI |
InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
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| InChIKey |
JUOSGGQXEBBCJB-GORDUTHDSA-N
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| CAS |
538-79-4
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound