(Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

C120H212F3N33O3S — CID 159313668

About (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

(Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 159313668) has the molecular formula C120H212F3N33O3S and a molecular weight of 2254.30 g/mol. Its IUPAC name is (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

• Compound Name: (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
• PubChem CID: 159313668
• Molecular Formula: C120H212F3N33O3S
• Molecular Weight: 2254.30 g/mol
• Exact Mass: 2252.71
• IUPAC Name: (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
• SMILES: CC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1.CC(C)(C)/C(N)=C/N(N)C1CN2CCC1CC2.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C2CCCCC2(C)C)nn1.CC(C)(C)c1cn(C2CCN(CC(F)(F)F)CC2)nn1.CC(C)(C)c1cn(C2CCN(S(C)(=O)=O)CC2)nn1.CCN1CCC(n2cc(C(C)(C)C)nn2)CC1(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.Cn1cnnc1C(C)(C)C
• InChI: InChI=1S/C15H28N4.C14H25N3.C13H21F3N4.C13H22N4O.C13H26N4.C12H22N4O2S.C9H13N.3C8H14N2.C7H13N3/c1-7-18-9-8-12(10-15(18,5)6)19-11-13(16-17-19)14(2,3)4;1-13(2,3)11-10-17(16-15-11)12-8-6-7-9-14(12,4)5;1-12(2,3)11-8-20(18-17-11)10-4-6-19(7-5-10)9-13(14,15)16;1-10(18)16-7-5-11(6-8-16)17-9-12(14-15-17)13(2,3)4;1-13(2,3)12(14)9-17(15)11-8-16-6-4-10(11)5-7-16;1-12(2,3)11-9-16(14-13-11)10-5-7-15(8-6-10)19(4,17)18;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-8-5-10(6)4/h11-12H,7-10H2,1-6H3;10,12H,6-9H2,1-5H3;8,10H,4-7,9H2,1-3H3;9,11H,5-8H2,1-4H3;9-11H,4-8,14-15H2,1-3H3;9-10H,5-8H2,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3/b;;;;12-9-
• InChIKey: LCWBLEPNWOQPQW-GZAZYVOSSA-N
• XLogP: 22.18
• TPSA: 373.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.30
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?

The IUPAC name of (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 159313668) is (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.

What is the SMILES notation for (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?

The canonical SMILES for (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is CC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1.CC(C)(C)/C(N)=C/N(N)C1CN2CCC1CC2.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C2CCCCC2(C)C)nn1.CC(C)(C)c1cn(C2CCN(CC(F)(F)F)CC2)nn1.CC(C)(C)c1cn(C2CCN(S(C)(=O)=O)CC2)nn1.CCN1CCC(n2cc(C(C)(C)C)nn2)CC1(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.Cn1cnnc1C(C)(C)C.

What is the InChIKey of (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?

The InChIKey is LCWBLEPNWOQPQW-GZAZYVOSSA-N. The full InChI is InChI=1S/C15H28N4.C14H25N3.C13H21F3N4.C13H22N4O.C13H26N4.C12H22N4O2S.C9H13N.3C8H14N2.C7H13N3/c1-7-18-9-8-12(10-15(18,5)6)19-11-13(16-17-19)14(2,3)4;1-13(2,3)11-10-17(16-15-11)12-8-6-7-9-14(12,4)5;1-12(2,3)11-8-20(18-17-11)10-4-6-19(7-5-10)9-13(14,15)16;1-10(18)16-7-5-11(6-8-16)17-9-12(14-15-17)13(2,3)4;1-13(2,3)12(14)9-17(15)11-8-16-6-4-10(11)5-7-16;1-12(2,3)11-9-16(14-13-11)10-5-7-15(8-6-10)19(4,17)18;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-8-5-10(6)4/h11-12H,7-10H2,1-6H3;10,12H,6-9H2,1-5H3;8,10H,4-7,9H2,1-3H3;9,11H,5-8H2,1-4H3;9-11H,4-8,14-15H2,1-3H3;9-10H,5-8H2,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;5H,1-4H3/b;;;;12-9-;;;;;;.

What are the key properties of (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?

(Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 2254.30 g/mol, XLogP of 22.18, 10 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 159313668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).