1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]

C158H243N11O5 — CID 158142775

About 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]

1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane] (PubChem CID 158142775) has the molecular formula C158H243N11O5 and a molecular weight of 2376.75 g/mol. Its IUPAC name is 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane].

Molecular Properties

• Compound Name: 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]
• PubChem CID: 158142775
• Molecular Formula: C158H243N11O5
• Molecular Weight: 2376.75 g/mol
• Exact Mass: 2374.91
• IUPAC Name: 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]
• SMILES: CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21.CC(C)(C)N1CCCC2CCCCC21.CC(C)(C)N1CCCc2cccc(O)c21.CC(C)(C)N1CCCc2ccccc21.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C22H36N2.C19H29NO.C17H25NO.2C16H23NO.C15H23N.C14H21N.C13H19NO.C13H25N.C13H19N/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;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-16(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-15(2,3)17-11-10-16(9-6-12-18-16)13-7-4-5-8-14(13)17;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14;2*1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h7-10H,11-17H2,1-6H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;4-7H,8-13H2,1-3H3;4-5,7-8H,6,9-12H2,1-3H3;4-7H,8-12H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4,6,8,15H,5,7,9H2,1-3H3;11-12H,4-10H2,1-3H3;4-5,7,9H,6,8,10H2,1-3H3
• InChIKey: FUDKKHOWMLILJH-UHFFFAOYSA-N
• XLogP: 37.20
• TPSA: 103.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.75
LogP ≤ 5	37.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]?

The IUPAC name of 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane] (CID 158142775) is 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane].

What is the SMILES notation for 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]?

The canonical SMILES for 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane] is CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21.CC(C)(C)N1CCCC2CCCCC21.CC(C)(C)N1CCCc2cccc(O)c21.CC(C)(C)N1CCCc2ccccc21.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.

What is the InChIKey of 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]?

The InChIKey is FUDKKHOWMLILJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.C19H29NO.C17H25NO.2C16H23NO.C15H23N.C14H21N.C13H19NO.C13H25N.C13H19N/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;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-16(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-15(2,3)17-11-10-16(9-6-12-18-16)13-7-4-5-8-14(13)17;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-9-5-7-10-6-4-8-11(15)12(10)14;2*1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h7-10H,11-17H2,1-6H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;4-7H,8-13H2,1-3H3;4-5,7-8H,6,9-12H2,1-3H3;4-7H,8-12H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4,6,8,15H,5,7,9H2,1-3H3;11-12H,4-10H2,1-3H3;4-5,7,9H,6,8,10H2,1-3H3.

What are the key properties of 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane]?

1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane] has a molecular weight of 2376.75 g/mol, XLogP of 37.20, 2 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane] is sourced from PubChem (CID 158142775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).