6-[(2S)-2-Amino-2-{3-[2-(6-Amino-4-Methyl-2-Pyridinyl)Ethyl]Phenyl}Ethyl]-4-Methyl-2-Pyridinamine

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Properties Simple | Detailed

Formula C22H27N5
IUPAC Name 6-[2-[3-[(1s)-1-amino-2-(6-amino-4-methyl-2-pyridyl)ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Molecular Mass 361.483 g·mol−1
Heat of Formation 177.4 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 464.75 Å 3
Surface Area 421.78 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
InChIKey HPGDXHOKQNTRIC-FQEVSTJZSA-N
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Elements H C N