N-[[1-(3-azanylpropyl)piperidin-4-yl]methyl]-1,7-bis(4-tert-butylphenyl)heptan-4-amine

Systemtic Name: N-[[1-(3-azanylpropyl)piperidin-4-yl]methyl]-1,7-bis(4-tert-butylphenyl)heptan-4-amine Openeye Name: N-[[1-(3-aminopropyl)-4-piperidyl]methyl]-1,7-bis(4-tert-butylphenyl)heptan-4-amine CAS Name: N-[[1-(3-aminopropyl)-4-piperidinyl]methyl]-1,7-bis(4-tert-butylphenyl)-4-heptanamine IUPAC Name: N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,7-bis(4-tert-butylphenyl)heptan-4-amine Traditional Name: [1-(3-aminopropyl)-4-piperidyl]methyl-[4-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)propyl]butyl]amine Formula: C36H59N3 MolecularWeight: 533.87376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCCC(CCCC2=CC=C(C=C2)C(C)(C)C)NCC3CCN(CC3)CCCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCCC(CCCC2=CC=C(C=C2)C(C)(C)C)NCC3CCN(CC3)CCCN

InChI

InChI=1S/C36H59N3/c1-35(2,3)32-18-14-29(15-19-32)10-7-12-34(38-28-31-22-26-39(27-23-31)25-9-24-37)13-8-11-30-16-20-33(21-17-30)36(4,5)6/h14-21,31,34,38H,7-13,22-28,37H2,1-6H3