chempirical

Lupinine

C10H19NOCAS 486-70-4169.27 g/mol

Open in Covalent MOL file
HON
AlcoholTertiary amine

Properties

Molecular formula
C10H19NO
Molar mass
169.27 g/mol
Exact mass
169.1467 Da
Melting point
70 °C
Boiling point
270 °C
logP
1.24Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
486-70-4
SMILES
OC[C@@H]1CCCN2CCCC[C@H]12
InChIKey
HDVAWXXJVMJBAR-VHSXEESVSA-N
InChI
InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 2H-Quinolizine-1-methanol, octahydro-, (1R,9aR)-
  • 2H-Quinolizine-1-methanol, octahydro-, (1R-trans)-
  • (1R,9aR)-Octahydro-2H-quinolizine-1-methanol
  • (-)-Lupinine
  • (-)-Octahydro-1H-quinolizine-1-methanol
  • NSC 21723
  • (1R,9aR)-(Octahydroquinolizin-1-yl)methanol
  • 1-((1R,9aR)-Octahydroquinolizidin-1-yl)methanol
  • (R,R)-1-(Hydroxymethyl)octahydroindolizine

Work with Lupinine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

cis-1,2-Cyclohexanedimethanol15753-50-150 % similar Rel-(1R,2R)-1,2-cyclohexanedimethanol25712-33-850 % similar (+)-Sparteine492-08-048 % similar Sparteine90-39-148 % similar 1-Methyl-2-piperidinemethanol20845-34-545 % similar (2S)-1-Methyl-2-pyrrolidinemethanol34381-71-042 % similar 1-Methyl-2-pyrrolidinemethanol3554-65-242 % similar Sparteine sulfate299-39-841 % similar

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

Same formula

(3-Endo)-8-(1-methylethyl)-8-azabicyclo[3.2.1]octan-3-ol3423-25-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia