azane; 4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: azane; 4-[(4-azanylcyclohexyl)methyl]cyclohexan-1-amine; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: 4-[(4-aminocyclohexyl)methyl]cyclohexanamine; ammonia; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 4-[(4-aminocyclohexyl)methyl]-1-cyclohexanamine; ammonia; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azane; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]amine; ammonia; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C22H46N4O MolecularWeight: 382.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.C1CC(CCC1CC2CCC(CC2)N)N.N.N

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.C1CC(CCC1CC2CCC(CC2)N)N.N.N

InChI

InChI=1S/C13H26N2.C9H14O.2H3N/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-7-4-8(10)6-9(2,3)5-7;;/h10-13H,1-9,14-15H2;4H,5-6H2,1-3H3;2*1H3