9AE

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Summary

Name:(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine
Formula:C11 H25 N
Formal charge:0
Molecular weight:171.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyInChI1.03NKGYBXHAQAKSSG-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385CC(C)CCC[C@H](C)NC(C)C
SMILESCACTVS3.385CC(C)CCC[CH](C)NC(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@@H](CCCC(C)C)NC(C)C
SMILESOpenEye OEToolkits2.0.6CC(C)CCCC(C)NC(C)C