3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

C278H434N30O5S5 — CID 160672955

IUPAC3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1CCNC1.CC(C)N1CC2CC2C1.CC(C)N1CCCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/C12H17N.C12H13N.C12H14.C11H21N.2C11H13N.C11H12O.C10H12N2.C10H20.C9H17NO.C9H19N.C9H12.C8H18N2.C8H11NO.C8H15N.C8H13N.3C8H11N.C8H16O.C8H12O.C7H10N2.3C7H15N.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;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;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)10-6-4-9-5-7-10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)9-4-7-3-8(7)5-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;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;1-7(2,3)8-5-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*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;3-9H,1-2H3;3-7,9H,8H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;3-8H,1-2H3;9H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);6-8H,3-5H2,1-2H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-6H2,1-3H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyRNDYZNTWPIYQJO-UHFFFAOYSA-N
MW4437.07 g/mol
LogP75.75
Rot. Bonds23

About 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (PubChem CID 160672955) has the molecular formula C278H434N30O5S5 and a molecular weight of 4437.07 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
PubChem CID160672955
Molecular FormulaC278H434N30O5S5
Molecular Weight4437.07 g/mol
Exact Mass4433.32
IUPAC Name3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1CCNC1.CC(C)N1CC2CC2C1.CC(C)N1CCCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/C12H17N.C12H13N.C12H14.C11H21N.2C11H13N.C11H12O.C10H12N2.C10H20.C9H17NO.C9H19N.C9H12.C8H18N2.C8H11NO.C8H15N.C8H13N.3C8H11N.C8H16O.C8H12O.C7H10N2.3C7H15N.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;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;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)10-6-4-9-5-7-10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)9-4-7-3-8(7)5-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;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;1-7(2,3)8-5-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*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;3-9H,1-2H3;3-7,9H,8H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;3-8H,1-2H3;9H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);6-8H,3-5H2,1-2H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-6H2,1-3H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyRNDYZNTWPIYQJO-UHFFFAOYSA-N
XLogP75.75
TPSA398.15 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004437.07
LogP ≤ 575.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;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;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158852313
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;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;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
CID 159022100
2-tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;propan-2-ylcyclopentane;5-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159631825
cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 162181482
cumene;1-propan-2-ylazetidine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;2-propan-2-ylnaphthalene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159595611
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157431953
2-tert-butylfuran;cumene;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;tris(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 161155787
3-tert-butyl-2,5-dihydrofuran;cumene;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-3-azatricyclo[4.2.1.02,5]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;5-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-2,5-dihydropyrrole;7-propan-2-yl-1H-indene;1-propan-2-ylnaphthalene;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine
CID 159682735
cumene;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylazetidine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;5-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-2,5-dihydropyrrole;7-propan-2-yl-1H-indene;1-propan-2-ylnaphthalene;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine
CID 162242697
tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 159624272
1,4-dimethyl-2-propan-2-ylpiperazine;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-2-propan-2-ylpiperidine);1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-ylimidazole;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1H-pyrazin-2-one;5-propan-2-yl-1H-pyrazin-2-one;6-propan-2-yl-1H-pyrazin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161372680
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole
CID 162231348

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (CID 160672955) is 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(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)N1CC2CC1CO2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1CCNC1.CC(C)N1CC2CC2C1.CC(C)N1CCCC1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The InChIKey is RNDYZNTWPIYQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H13N.C12H14.C11H21N.2C11H13N.C11H12O.C10H12N2.C10H20.C9H17NO.C9H19N.C9H12.C8H18N2.C8H11NO.C8H15N.C8H13N.3C8H11N.C8H16O.C8H12O.C7H10N2.3C7H15N.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;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;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)10-6-4-9-5-7-10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)9-4-7-3-8(7)5-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;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;1-7(2,3)8-5-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*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;3-9H,1-2H3;3-7,9H,8H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;3-8H,1-2H3;9H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);6-8H,3-5H2,1-2H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-6H2,1-3H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene has a molecular weight of 4437.07 g/mol, XLogP of 75.75, 23 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is sourced from PubChem (CID 160672955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).