About 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 157263351) has the molecular formula C247H378N22O4S4
and a molecular weight of 3848.16 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 157263351) is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)(C)C1=CCC=N1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1=CC=CCC1=O.CC(C)C1=CN=CC1.CC(C)C1CCNC1.CC(C)N1CC2CC2C1.CC(C)N1CCCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1OCC2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is AXSIXJHBRGOBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H14.C11H21N.3C11H13N.C11H14O.C10H19N.C10H20.C9H12O.2C9H12.C8H15N.C8H13N.2C8H11N.C8H16O.C8H12O.C7H10N2.C7H15N.C7H11N.C7H15N.C7H11N.2C7H10S.2C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-7,9H,8H2,1-2H3;9-10H,4-8H2,1-3H3;3*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3;2*3-8H,1-2H3;6-8H,3-5H2,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;6-8H,3-5H2,1-2H3;4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3848.16 g/mol, XLogP of 69.68, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 157263351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).