adamantan-1-amine; 1-adamantylmethanamine; 3,5-dimethyladamantan-1-amine; 3-phenyladamantan-1-amine

Systemtic Name: adamantan-1-amine; 1-adamantylmethanamine; 3,5-dimethyladamantan-1-amine; 3-phenyladamantan-1-amine Openeye Name: adamantan-1-amine; 1-adamantylmethanamine; 3,5-dimethyladamantan-1-amine; 3-phenyladamantan-1-amine CAS Name: 1-adamantanamine; 1-adamantylmethanamine; 3,5-dimethyl-1-adamantanamine; 3-phenyl-1-adamantanamine IUPAC Name: adamantan-1-amine; 1-adamantylmethanamine; 3,5-dimethyladamantan-1-amine; 3-phenyladamantan-1-amine Traditional Name: 1-adamantylamine; 1-adamantylmethylamine; (3,5-dimethyl-1-adamantyl)amine; (3-phenyl-1-adamantyl)amine Formula: C49H78N4 MolecularWeight: 723.17042

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1C2CC3CC1CC(C2)(C3)CN.C1C2CC3CC1CC(C2)(C3)N.C1C2CC3(CC1CC(C2)(C3)N)C4=CC=CC=C4

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1C2CC3CC1CC(C2)(C3)CN.C1C2CC3CC1CC(C2)(C3)N.C1C2CC3(CC1CC(C2)(C3)N)C4=CC=CC=C4

InChI

InChI=1S/C16H21N.C12H21N.C11H19N.C10H17N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h1-5,12-13H,6-11,17H2;9H,3-8,13H2,1-2H3;8-10H,1-7,12H2;7-9H,1-6,11H2