4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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

C130H198F2N8O10 — CID 160970531

IUPAC4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.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/C19H28N2O.C19H29NO.C18H28N2O.C17H27N.C16H27NO.2C14H19FO2.C13H21NO2/c1-17(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)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;2*1-14(2,3)10-4-5-13(12(15)8-10)17-11-6-7-16-9-11;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-6,13H,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;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;2*4-5,8,11H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3
InChIKeySYESIMNGZXYRDC-UHFFFAOYSA-N
MW2071.06 g/mol
LogP28.88
Rot. Bonds23

About 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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

4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 160970531) has the molecular formula C130H198F2N8O10 and a molecular weight of 2071.06 g/mol. Its IUPAC name is 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 Name4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 CID160970531
Molecular FormulaC130H198F2N8O10
Molecular Weight2071.06 g/mol
Exact Mass2069.52
IUPAC Name4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.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/C19H28N2O.C19H29NO.C18H28N2O.C17H27N.C16H27NO.2C14H19FO2.C13H21NO2/c1-17(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)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;2*1-14(2,3)10-4-5-13(12(15)8-10)17-11-6-7-16-9-11;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-6,13H,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;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;2*4-5,8,11H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3
InChIKeySYESIMNGZXYRDC-UHFFFAOYSA-N
XLogP28.88
TPSA233.49 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.06
LogP ≤ 528.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 160970531) is 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OC2CCOC2)c(F)c1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)nc1.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 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 SYESIMNGZXYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.C19H29NO.C18H28N2O.C17H27N.C16H27NO.2C14H19FO2.C13H21NO2/c1-17(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)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;2*1-14(2,3)10-4-5-13(12(15)8-10)17-11-6-7-16-9-11;1-12(2,3)10-6-7-11(14-8-10)16-9-13(4,5)15/h4-6,13H,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;5-8,15H,9-13H2,1-4H3;8-10,13H,6-7,11-12H2,1-5H3;2*4-5,8,11H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3.
What are the key properties of 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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?
4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 2071.06 g/mol, XLogP of 28.88, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;bis(3-(4-tert-butyl-2-fluorophenoxy)oxolane);2-(3-tert-butylphenoxy)-N,N-diethylethanamine;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 160970531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).