2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene

C90H155N9O5S2 — CID 157190761

About 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene

2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene (PubChem CID 157190761) has the molecular formula C90H155N9O5S2 and a molecular weight of 1507.42 g/mol. Its IUPAC name is 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene.

Molecular Properties

• Compound Name: 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene
• PubChem CID: 157190761
• Molecular Formula: C90H155N9O5S2
• Molecular Weight: 1507.42 g/mol
• Exact Mass: 1506.16
• IUPAC Name: 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene
• SMILES: CC(C)C(C)(C)C1CCCCC1.CC(C)C(CO)C1CCCCC1.CC(C)C(CO)c1ccccc1.CC(C)CC1CCCC(N)C1.CC(C)CC1SC(=O)NC1=O.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccnc(N)n1.CC(C)Cc1ccncn1.CC(C)Cn1ccnc1
• InChI: InChI=1S/C12H24.C11H22O.C11H16O.C10H21N.C8H13N3.C8H12N2.C8H12O.C8H12S.C7H12N2.C7H11NO2S/c1-10(2)12(3,4)11-8-6-5-7-9-11;2*1-9(2)11(8-12)10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)5-7-3-4-10-8(9)11-7;1-7(2)5-8-3-4-9-6-10-8;2*1-7(2)6-8-4-3-5-9-8;1-7(2)5-9-4-3-8-6-9;1-4(2)3-5-6(9)8-7(10)11-5/h10-11H,5-9H2,1-4H3;9-12H,3-8H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-10H,3-7,11H2,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,10,11);3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10)
• InChIKey: APRBRSRMHBXUIR-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 221.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.42
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene?

The IUPAC name of 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene (CID 157190761) is 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene.

What is the SMILES notation for 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene?

The canonical SMILES for 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene is CC(C)C(C)(C)C1CCCCC1.CC(C)C(CO)C1CCCCC1.CC(C)C(CO)c1ccccc1.CC(C)CC1CCCC(N)C1.CC(C)CC1SC(=O)NC1=O.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccnc(N)n1.CC(C)Cc1ccncn1.CC(C)Cn1ccnc1.

What is the InChIKey of 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene?

The InChIKey is APRBRSRMHBXUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C11H22O.C11H16O.C10H21N.C8H13N3.C8H12N2.C8H12O.C8H12S.C7H12N2.C7H11NO2S/c1-10(2)12(3,4)11-8-6-5-7-9-11;2*1-9(2)11(8-12)10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)5-7-3-4-10-8(9)11-7;1-7(2)5-8-3-4-9-6-10-8;2*1-7(2)6-8-4-3-5-9-8;1-7(2)5-9-4-3-8-6-9;1-4(2)3-5-6(9)8-7(10)11-5/h10-11H,5-9H2,1-4H3;9-12H,3-8H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-10H,3-7,11H2,1-2H3;3-4,6H,5H2,1-2H3,(H2,9,10,11);3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10).

What are the key properties of 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene?

2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene has a molecular weight of 1507.42 g/mol, XLogP of 23.33, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-3-methylbutan-1-ol;2,3-dimethylbutan-2-ylcyclohexane;3-methyl-2-phenylbutan-1-ol;3-(2-methylpropyl)cyclohexan-1-amine;2-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)pyrimidin-2-amine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)-1,3-thiazolidine-2,4-dione;2-(2-methylpropyl)thiophene is sourced from PubChem (CID 157190761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).