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17Q

Summary
Name:1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine
Formula:C19 H39 N O
Formal charge:0
Formula weight:297.519 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(cyclododecyloxy)-N,N-dimethylpentan-1-amine
OpenEye OEToolkits1.9.25-cyclododecyloxy-N,N-dimethyl-pentan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CCCCCN(C)C)C1CCCCCCCCCCC1
InChIInChI1.03InChI=1S/C19H39NO/c1-20(2)17-13-10-14-18-21-19-15-11-8-6-4-3-5-7-9-12-16-19/h19H,3-18H2,1-2H3
InChIKeyInChI1.03IWMFMRACOCTPPO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCCCOC1CCCCCCCCCCC1
SMILESCACTVS3.385CN(C)CCCCCOC1CCCCCCCCCCC1
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(C)CCCCCOC1CCCCCCCCCCC1
SMILESOpenEye OEToolkits1.9.2CN(C)CCCCCOC1CCCCCCCCCCC1

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PDB entries from 2024-07-17

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