1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane

C123H195N11O — CID 162086327

About 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane

1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane (PubChem CID 162086327) has the molecular formula C123H195N11O and a molecular weight of 1843.99 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane.

Molecular Properties

• Compound Name: 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane
• PubChem CID: 162086327
• Molecular Formula: C123H195N11O
• Molecular Weight: 1843.99 g/mol
• Exact Mass: 1842.55
• IUPAC Name: 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane
• SMILES: C.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCCc2cccc(O)c21.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1(C)CN(C(C)(C)C)c2ccccc21.CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
• InChI: InChI=1S/C22H36N2.C21H34N2.C20H32N2.C17H26N2.C15H23N.C14H21N.C13H19NO.CH4/c1-20(2,3)17-23-14-11-22(12-15-23)13-16-24(21(4,5)6)19-10-8-7-9-18(19)22;1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-16(2,3)19-13-17(9-11-18(4)12-10-17)14-7-5-6-8-15(14)19;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-13(2,3)15-10-14(4,5)11-8-6-7-9-12(11)15;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14;/h7-10H,11-17H2,1-6H3;7-10H,11-16H2,1-6H3;6-9,16H,10-15H2,1-5H3;5-8H,9-13H2,1-4H3;6-9H,10-11H2,1-5H3;6-9H,10H2,1-5H3;4,6,8,15H,5,7,9H2,1-3H3;1H4
• InChIKey: ZCZVRSPVOAHBKW-UHFFFAOYSA-N
• XLogP: 28.46
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.99
LogP ≤ 5	28.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane?

The IUPAC name of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane (CID 162086327) is 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane.

What is the SMILES notation for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane?

The canonical SMILES for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane is C.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCCc2cccc(O)c21.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1(C)CN(C(C)(C)C)c2ccccc21.CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.

What is the InChIKey of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane?

The InChIKey is ZCZVRSPVOAHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.C21H34N2.C20H32N2.C17H26N2.C15H23N.C14H21N.C13H19NO.CH4/c1-20(2,3)17-23-14-11-22(12-15-23)13-16-24(21(4,5)6)19-10-8-7-9-18(19)22;1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-16(2,3)19-13-17(9-11-18(4)12-10-17)14-7-5-6-8-15(14)19;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-13(2,3)15-10-14(4,5)11-8-6-7-9-12(11)15;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14;/h7-10H,11-17H2,1-6H3;7-10H,11-16H2,1-6H3;6-9,16H,10-15H2,1-5H3;5-8H,9-13H2,1-4H3;6-9H,10-11H2,1-5H3;6-9H,10H2,1-5H3;4,6,8,15H,5,7,9H2,1-3H3;1H4.

What are the key properties of 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane?

1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane has a molecular weight of 1843.99 g/mol, XLogP of 28.46, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];methane is sourced from PubChem (CID 162086327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).