3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine

C69H111N5OS2 — CID 159913423

About 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine

3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine (PubChem CID 159913423) has the molecular formula C69H111N5OS2 and a molecular weight of 1090.81 g/mol. Its IUPAC name is 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine
• PubChem CID: 159913423
• Molecular Formula: C69H111N5OS2
• Molecular Weight: 1090.81 g/mol
• Exact Mass: 1089.82
• IUPAC Name: 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine
• SMILES: CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccon1.Cc1nc(-c2ccccc2)sc1CC(C)(C)C.Cc1nc(CC(C)(C)C)cs1
• InChI: InChI=1S/C15H19NS.2C10H15N.C9H15NS.C9H18.C8H13NO.C8H16/c1-11-13(10-15(2,3)4)17-14(16-11)12-8-6-5-7-9-12;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-7-10-8(6-11-7)5-9(2,3)4;1-9(2,3)7-6-8-4-5-8;1-8(2,3)6-7-4-5-10-9-7;1-8(2,3)6-7-4-5-7/h5-9H,10H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;6H,5H2,1-4H3;8H,4-7H2,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3
• InChIKey: NXLWDBMUFDBOKJ-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 77.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.81
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine (CID 159913423) is 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccon1.Cc1nc(-c2ccccc2)sc1CC(C)(C)C.Cc1nc(CC(C)(C)C)cs1.

What is the InChIKey of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

The InChIKey is NXLWDBMUFDBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS.2C10H15N.C9H15NS.C9H18.C8H13NO.C8H16/c1-11-13(10-15(2,3)4)17-14(16-11)12-8-6-5-7-9-12;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-7-10-8(6-11-7)5-9(2,3)4;1-9(2,3)7-6-8-4-5-8;1-8(2,3)6-7-4-5-10-9-7;1-8(2,3)6-7-4-5-7/h5-9H,10H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;6H,5H2,1-4H3;8H,4-7H2,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3.

What are the key properties of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine?

3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 1090.81 g/mol, XLogP of 21.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 159913423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).