1-(2-adamantyl)-3-(2-azanylpropan-2-yl)-2-methyl-heptadecan-1-one

Systemtic Name: 1-(2-adamantyl)-3-(2-azanylpropan-2-yl)-2-methyl-heptadecan-1-one Openeye Name: 1-(2-adamantyl)-3-(1-amino-1-methyl-ethyl)-2-methyl-heptadecan-1-one CAS Name: 1-(2-adamantyl)-3-(2-aminopropan-2-yl)-2-methyl-1-heptadecanone IUPAC Name: 1-(2-adamantyl)-3-(2-aminopropan-2-yl)-2-methylheptadecan-1-one Traditional Name: 1-(2-adamantyl)-3-(1-amino-1-methyl-ethyl)-2-methyl-heptadecan-1-one Formula: C31H57NO MolecularWeight: 459.79038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C)C(=O)C1C2CC3CC(C2)CC1C3)C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C)C(=O)C1C2CC3CC(C2)CC1C3)C(C)(C)N

InChI

InChI=1S/C31H57NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28(31(3,4)32)23(2)30(33)29-26-19-24-18-25(21-26)22-27(29)20-24/h23-29H,5-22,32H2,1-4H3