chempirical

(-)-N-Methylcytisine

C12H16N2OCAS 486-86-2204.27 g/mol

Open in Covalent MOL file
NON
Tertiary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
Melting point
137 °C
Boiling point
140–170 °C (at 0.01 Torr)
logP
0.90Crippen estimate
Polar surface area
25.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
486-86-2
SMILES
CN1CC2CC(C1)c1cccc(=O)n1C2
InChIKey
CULUKMPMGVXCEI-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R,5S)-
  • Cytisine, 12-methyl-
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-
  • Cytisine, methyl-
  • Cytisine, N-methyl-
  • (1R,5S)-1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
  • N-Methylcytisine
  • Caulophylline
  • Caulophyllin
  • 3-Methylcytisine

Work with (-)-N-Methylcytisine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cytisine485-35-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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