1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]

C52H78N4O2 — CID 157057162

IUPAC1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
SMILESCC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21
InChIInChI=1S/C21H34N2.C16H23NO.C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16/h7-10H,11-16H2,1-6H3;4-7H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3
InChIKeyAAWVVLRBUYWXBZ-UHFFFAOYSA-N
MW791.22 g/mol
LogP11.35
Rot. Bonds1

About 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] (PubChem CID 157057162) has the molecular formula C52H78N4O2 and a molecular weight of 791.22 g/mol. Its IUPAC name is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane].

Molecular Properties

Compound Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
PubChem CID157057162
Molecular FormulaC52H78N4O2
Molecular Weight791.22 g/mol
Exact Mass790.61
IUPAC Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
SMILESCC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21
InChIInChI=1S/C21H34N2.C16H23NO.C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16/h7-10H,11-16H2,1-6H3;4-7H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3
InChIKeyAAWVVLRBUYWXBZ-UHFFFAOYSA-N
XLogP11.35
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.22
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] with MolForge

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Related Compounds

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];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-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 158091826
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
CID 158993856
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 161328604
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];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-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 161651610
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-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-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 162151319

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]?
The IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] (CID 157057162) is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane].
What is the SMILES notation for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]?
The canonical SMILES for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] is CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21.
What is the InChIKey of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]?
The InChIKey is AAWVVLRBUYWXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2.C16H23NO.C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16/h7-10H,11-16H2,1-6H3;4-7H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3.
What are the key properties of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]?
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] has a molecular weight of 791.22 g/mol, XLogP of 11.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane] is sourced from PubChem (CID 157057162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).