Rivanicline
C₁₀H₁₄N₂·162.230 g/mol·CID 5310967
IUPAC: (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
Also known as: 15585-43-0, Trans-metanicotine, (E)-Metanicotine, (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine, Rivaniclina (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
162.230g/mol
Exact Mass
162.115698Da
Monoisotopic Mass
162.115698Da
XLogP
1.1
Polar Surface Area
24.9Ų
Complexity
132
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 162.2 g/mol
MW ≤ 500
✓ 1.1
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
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+
Isomers8 compounds with formula C₁₀H₁₄N₂
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 89594 · 162.2 g/mol
3-[(2S)-piperidin-2-yl]pyridine
CID 205586 · 162.2 g/mol
3-(1-methylpyrrolidin-2-yl)pyridine
CID 942 · 162.2 g/mol
3-piperidin-2-ylpyridine
CID 2181 · 162.2 g/mol
1-phenylpiperazine
CID 7096 · 162.2 g/mol
N-(2,4-dimethylphenyl)-N'-methylmethanimidamide
CID 36326 · 162.2 g/mol
3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 157672 · 162.2 g/mol
3-[(2R)-piperidin-2-yl]pyridine
CID 641266 · 162.2 g/mol