5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine

C78H157N9O2S — CID 159698247

About 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine

5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine (PubChem CID 159698247) has the molecular formula C78H157N9O2S and a molecular weight of 1285.24 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine.

Molecular Properties

• Compound Name: 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
• PubChem CID: 159698247
• Molecular Formula: C78H157N9O2S
• Molecular Weight: 1285.24 g/mol
• Exact Mass: 1284.22
• IUPAC Name: 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C)CC1CCCO1.CC(C)(C)CCc1cccs1.CC(C)(C)CCc1cnc[nH]1.CC(C)(C)Cc1ncc[nH]1.CC(C)CCN(C)C.CC(C)Cc1cccnc1.Cc1cc(CC(C)(C)C)n[nH]1.Cc1cc(CC(C)(C)C)on1
• InChI: InChI=1S/C10H16S.2C9H16N2.C9H15NO.C9H13N.C9H18O.C8H14N2.C7H17N.8CH4/c1-10(2,3)7-6-9-5-4-8-11-9;1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)5-4-8-6-10-7-11-8;1-7-5-8(11-10-7)6-9(2,3)4;1-8(2)6-9-4-3-5-10-7-9;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7-9-4-5-10-7;1-7(2)5-6-8(3)4;;;;;;;;/h4-5,8H,6-7H2,1-3H3;5H,6H2,1-4H3,(H,10,11);6-7H,4-5H2,1-3H3,(H,10,11);5H,6H2,1-4H3;3-5,7-8H,6H2,1-2H3;8H,4-7H2,1-3H3;4-5H,6H2,1-3H3,(H,9,10);7H,5-6H2,1-4H3;8*1H4
• InChIKey: MXHDYASCTQNTJV-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 137.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.24
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?

The IUPAC name of 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine (CID 159698247) is 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine.

What is the SMILES notation for 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?

The canonical SMILES for 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine is C.C.C.C.C.C.C.C.CC(C)(C)CC1CCCO1.CC(C)(C)CCc1cccs1.CC(C)(C)CCc1cnc[nH]1.CC(C)(C)Cc1ncc[nH]1.CC(C)CCN(C)C.CC(C)Cc1cccnc1.Cc1cc(CC(C)(C)C)n[nH]1.Cc1cc(CC(C)(C)C)on1.

What is the InChIKey of 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?

The InChIKey is MXHDYASCTQNTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S.2C9H16N2.C9H15NO.C9H13N.C9H18O.C8H14N2.C7H17N.8CH4/c1-10(2,3)7-6-9-5-4-8-11-9;1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)5-4-8-6-10-7-11-8;1-7-5-8(11-10-7)6-9(2,3)4;1-8(2)6-9-4-3-5-10-7-9;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7-9-4-5-10-7;1-7(2)5-6-8(3)4;;;;;;;;/h4-5,8H,6-7H2,1-3H3;5H,6H2,1-4H3,(H,10,11);6-7H,4-5H2,1-3H3,(H,10,11);5H,6H2,1-4H3;3-5,7-8H,6H2,1-2H3;8H,4-7H2,1-3H3;4-5H,6H2,1-3H3,(H,9,10);7H,5-6H2,1-4H3;8*1H4.

What are the key properties of 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?

5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine has a molecular weight of 1285.24 g/mol, XLogP of 24.56, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-dimethylbutyl)-1H-imidazole;2-(3,3-dimethylbutyl)thiophene;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)oxolane;methane;3-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 159698247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).