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QJ4

Summary
Name:6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
Formula:C19 H28 N4
Formal charge:0
Formula weight:312.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
OpenEye OEToolkits1.7.66-[7-(6-azanyl-4-methyl-pyridin-2-yl)heptyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(N)cc(cc1CCCCCCCc2nc(N)cc(c2)C)C
InChIInChI1.03InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)
InChIKeyInChI1.03FSVLONGGRYPEKX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1
SMILESCACTVS3.370Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C

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PDB entries from 2024-07-17

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