1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol

C140H216N10O8 — CID 161413049

IUPAC1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(CC(=O)C23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1ccc(OCC23CCN(CC2)CC3)cc1.CC(C)(C)c1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H29NO.C19H28N2O.C19H29NO.C18H28N2O.C18H27NO.C17H27N.C16H27NO.C13H21NO2/c1-18(2,3)16-6-4-15(5-7-16)14-17(22)19-8-11-20(21,12-9-19)13-10-19;1-17(2,3)14-5-4-6-15(13-14)21-16(22)18-7-10-19(20,11-8-18)12-9-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)15-4-6-16(7-5-15)20-14-18-8-11-19(12-9-18)13-10-18;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,21H2,1-3H3;4-6,13H,7-12,20H2,1-3H3,(H,21,22);4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;4-7H,8-14H2,1-3H3;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3
InChIKeyVVSPLXYJFQTSQA-UHFFFAOYSA-N
MW2167.33 g/mol
LogP30.30
Rot. Bonds25

About 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol

1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol (PubChem CID 161413049) has the molecular formula C140H216N10O8 and a molecular weight of 2167.33 g/mol. Its IUPAC name is 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
PubChem CID161413049
Molecular FormulaC140H216N10O8
Molecular Weight2167.33 g/mol
Exact Mass2165.68
IUPAC Name1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol
SMILESCC(C)(C)c1ccc(CC(=O)C23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1ccc(OCC23CCN(CC2)CC3)cc1.CC(C)(C)c1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H29NO.C19H28N2O.C19H29NO.C18H28N2O.C18H27NO.C17H27N.C16H27NO.C13H21NO2/c1-18(2,3)16-6-4-15(5-7-16)14-17(22)19-8-11-20(21,12-9-19)13-10-19;1-17(2,3)14-5-4-6-15(13-14)21-16(22)18-7-10-19(20,11-8-18)12-9-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)15-4-6-16(7-5-15)20-14-18-8-11-19(12-9-18)13-10-18;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,21H2,1-3H3;4-6,13H,7-12,20H2,1-3H3,(H,21,22);4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;4-7H,8-14H2,1-3H3;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3
InChIKeyVVSPLXYJFQTSQA-UHFFFAOYSA-N
XLogP30.30
TPSA252.13 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.33
LogP ≤ 530.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol (CID 161413049) is 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol is CC(C)(C)c1ccc(CC(=O)C23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.CC(C)(C)c1ccc(OCC23CCN(CC2)CC3)cc1.CC(C)(C)c1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(O)COc1ccc(C(C)(C)C)cn1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
The InChIKey is VVSPLXYJFQTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO.C19H28N2O.C19H29NO.C18H28N2O.C18H27NO.C17H27N.C16H27NO.C13H21NO2/c1-18(2,3)16-6-4-15(5-7-16)14-17(22)19-8-11-20(21,12-9-19)13-10-19;1-17(2,3)14-5-4-6-15(13-14)21-16(22)18-7-10-19(20,11-8-18)12-9-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-16(2,3)14-4-5-15(20-12-14)21-13-17-6-9-18(19,10-7-17)11-8-17;1-17(2,3)15-4-6-16(7-5-15)20-14-18-8-11-19(12-9-18)13-10-18;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-7H,8-14,21H2,1-3H3;4-6,13H,7-12,20H2,1-3H3,(H,21,22);4-6,13H,7-12,14,20H2,1-3H3;4-5,12H,6-11,13,19H2,1-3H3;4-7H,8-14H2,1-3H3;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;6-8,15H,9H2,1-5H3.
What are the key properties of 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol?
1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol has a molecular weight of 2167.33 g/mol, XLogP of 30.30, 25 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-pyridinyl)oxymethyl]bicyclo[2.2.2]octan-1-amine;1-[(5-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 161413049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).