tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine

C137H244N17O6+ — CID 158806841

About tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine

tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine (PubChem CID 158806841) has the molecular formula C137H244N17O6+ and a molecular weight of 2225.57 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine.

Molecular Properties

• Compound Name: tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine
• PubChem CID: 158806841
• Molecular Formula: C137H244N17O6+
• Molecular Weight: 2225.57 g/mol
• Exact Mass: 2223.93
• IUPAC Name: tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine
• SMILES: CC(C)(C)CN1CCCC1(C)C.CC(C)(C)COC(C)(C)C.CC(C)(C)c1ccc(OCCN2CCCC2)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC1(C)CCC(C(C)(C)C)O1.CC1CCCC(C)N1CC(C)(C)C.CN(C)CCCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.C[n+]1ccc(C(C)(C)C)[nH]1.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C15H24N2O.C14H24N2O.C13H23N3O.C12H25N.C11H23N.C10H15NO.C10H20O.C10H14.C9H13N.C9H20O.3C8H14N2/c1-15(2,3)13-6-7-14(16-12-13)18-11-10-17-8-4-5-9-17;1-14(2,3)12-7-8-13(15-11-12)17-10-6-9-16(4)5;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-10-7-6-8-11(2)13(10)9-12(3,4)5;1-10(2,3)9-12-8-6-7-11(12,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-6-7-10(4,5)11-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-10-9(4,5)6;1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-5-6-10(4)9-7/h6-7,12H,4-5,8-11H2,1-3H3;7-8,11H,6,9-10H2,1-5H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;6-9H2,1-5H3;5-7H,1-4H3;8H,6-7H2,1-5H3;4-8H,1-3H3;4-7H,1-3H3;7H2,1-6H3;3*5-6H,1-4H3/p+1
• InChIKey: DVSXYAHWEMLEDM-UHFFFAOYSA-O
• XLogP: 31.44
• TPSA: 196.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.57
LogP ≤ 5	31.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine?

The IUPAC name of tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine (CID 158806841) is tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine.

What is the SMILES notation for tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine?

The canonical SMILES for tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine is CC(C)(C)CN1CCCC1(C)C.CC(C)(C)COC(C)(C)C.CC(C)(C)c1ccc(OCCN2CCCC2)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC1(C)CCC(C(C)(C)C)O1.CC1CCCC(C)N1CC(C)(C)C.CN(C)CCCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.C[n+]1ccc(C(C)(C)C)[nH]1.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine?

The InChIKey is DVSXYAHWEMLEDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O.C14H24N2O.C13H23N3O.C12H25N.C11H23N.C10H15NO.C10H20O.C10H14.C9H13N.C9H20O.3C8H14N2/c1-15(2,3)13-6-7-14(16-12-13)18-11-10-17-8-4-5-9-17;1-14(2,3)12-7-8-13(15-11-12)17-10-6-9-16(4)5;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-10-7-6-8-11(2)13(10)9-12(3,4)5;1-10(2,3)9-12-8-6-7-11(12,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-6-7-10(4,5)11-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-10-9(4,5)6;1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-5-6-10(4)9-7/h6-7,12H,4-5,8-11H2,1-3H3;7-8,11H,6,9-10H2,1-5H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;6-9H2,1-5H3;5-7H,1-4H3;8H,6-7H2,1-5H3;4-8H,1-3H3;4-7H,1-3H3;7H2,1-6H3;3*5-6H,1-4H3/p+1.

What are the key properties of tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine?

tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine has a molecular weight of 2225.57 g/mol, XLogP of 31.44, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;5-tert-butyl-2,2-dimethyloxolane;5-tert-butyl-2-methoxypyridine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1H-pyrazol-2-ium;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;3-tert-butylpyridine;3-[(5-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine;2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;1-(2,2-dimethylpropyl)-2,6-dimethylpiperidine;1-(2,2-dimethylpropyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 158806841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).