(2S)-1-[(8Ar)-Hexahydropyrrolo[1,2-A]Pyrimidin-1(2H)-Yl]-4-Methyl-2-Pentanamine

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Formula C13H27N3
IUPAC Name (2s)-1-[(1s,5s,8ar)-3,4,6,7,8,8a-hexahydro-2h-pyrrolo[1,2-a]pyrimidin-1-yl]-4-methyl-pentan-2-amine
Molecular Mass 225.374 g·mol−1
Heat of Formation -52.0 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 320.27 Å 3
Surface Area 283.92 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 5.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(8ar)-3,4,6,7,8,8a-hexahydro-2h-pyrrolo[2,1-b]pyrimidin-1-yl]-4-methyl-pentan-2-amine
  • (2s)-1-[(8ar)-3,4,6,7,8,8a-hexahydro-2h-pyrrolo[2,1-b]pyrimidin-1-yl]-4-methylpentan-2-amine
  • [(1s)-1-[[(8ar)-3,4,6,7,8,8a-hexahydro-2h-pyrrolo[2,1-b]pyrimidin-1-yl]methyl]-3-methyl-butyl]amine
  • n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine
  • tlx
InChIKey SOQLOPQBSFMPNJ-QWHCGFSZSA-N
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