(3S,5R)-3,5-dimethyladamantan-1-amine; (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine

Systemtic Name: (3S,5R)-3,5-dimethyladamantan-1-amine; (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine Openeye Name: (3S,5R)-3,5-dimethyladamantan-1-amine; (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine CAS Name: (3S,5R)-3,5-dimethyl-1-adamantanamine; (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-2-propanamine IUPAC Name: (3S,5R)-3,5-dimethyladamantan-1-amine; (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]amine; methyl-[(1R)-1-methyl-2-phenyl-ethyl]-propargyl-amine Formula: C25H38N2 MolecularWeight: 366.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N(C)CC#C.CC12CC3CC(C1)(CC(C3)(C2)N)C

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)N(C)CC#C.C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C

InChI

InChI=1S/C13H17N.C12H21N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h1,5-9,12H,10-11H2,2-3H3;9H,3-8,13H2,1-2H3/t12-;9?,10-,11+,12?/m1./s1