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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
82303
Molecular Scaffold
gGx@@eRsFuURBb@
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
C[C@@H]1C(C)(C)CN2[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H16N/c1-6-7-4-9(7)5-8(6,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TYEPFGOIPBQSAQ-RQJHMYQMSA-N