2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole

C269H494F2N34O15S4 — CID 160717773

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)(C)C1CCCC1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC(C)(C)S(=O)(=O)CC1.CC(C)(C)N1CCC2(CC1)CC(F)(F)C2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCS(=O)(=O)CC1.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCC1O.CC(C)(C)NC1CCOC1.CC(C)C1=CCC=N1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cnnc1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H21F2N.C12H23N.C11H23NO2S.C11H21N.C10H21NO.2C10H21N.C9H20N2.C9H19NO2S.3C9H17NO.3C9H19NO.C9H19N.C9H18.C9H12.C8H17NO.3C8H11N.C7H11N.C7H10O.C7H10S.3C6H10N2.2C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)15-6-4-11(5-7-15)8-12(13,14)9-11;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-7-6-11(4,5)15(13,14)9-8-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-4-7-13(11,12)8-6-10;3*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8(7)11;1-9(2,3)10-8-6-4-5-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)9-7-4-5-10-6-7;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;3*1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-3-6-7-4-8/h4-9H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;9-10H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-8H,1-2H3;7,9H,4-6H2,1-3H3;3*3-7H,1-2H3;4-6H,3H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyRSRYDYAYXGCQEN-UHFFFAOYSA-N
MW4611.40 g/mol
LogP62.07
Rot. Bonds17

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole (PubChem CID 160717773) has the molecular formula C269H494F2N34O15S4 and a molecular weight of 4611.40 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
PubChem CID160717773
Molecular FormulaC269H494F2N34O15S4
Molecular Weight4611.40 g/mol
Exact Mass4607.78
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)(C)C1CCCC1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC(C)(C)S(=O)(=O)CC1.CC(C)(C)N1CCC2(CC1)CC(F)(F)C2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCS(=O)(=O)CC1.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCC1O.CC(C)(C)NC1CCOC1.CC(C)C1=CCC=N1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cnnc1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H21F2N.C12H23N.C11H23NO2S.C11H21N.C10H21NO.2C10H21N.C9H20N2.C9H19NO2S.3C9H17NO.3C9H19NO.C9H19N.C9H18.C9H12.C8H17NO.3C8H11N.C7H11N.C7H10O.C7H10S.3C6H10N2.2C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)15-6-4-11(5-7-15)8-12(13,14)9-11;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-7-6-11(4,5)15(13,14)9-8-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-4-7-13(11,12)8-6-10;3*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8(7)11;1-9(2,3)10-8-6-4-5-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)9-7-4-5-10-6-7;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;3*1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-3-6-7-4-8/h4-9H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;9-10H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-8H,1-2H3;7,9H,4-6H2,1-3H3;3*3-7H,1-2H3;4-6H,3H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
InChIKeyRSRYDYAYXGCQEN-UHFFFAOYSA-N
XLogP62.07
TPSA461.96 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds17
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004611.40
LogP ≤ 562.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole (CID 160717773) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole is CC(C)(C)C1CCCC1.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC(C)(C)S(=O)(=O)CC1.CC(C)(C)N1CCC2(CC1)CC(F)(F)C2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCS(=O)(=O)CC1.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCC1O.CC(C)(C)NC1CCOC1.CC(C)C1=CCC=N1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cnnc1.CC1CN(C(C)(C)C)CC(C)O1.CC1CN(C(C)(C)C)CCO1.CC1COCCN1C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole?
The InChIKey is RSRYDYAYXGCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N.C12H23N.C11H23NO2S.C11H21N.C10H21NO.2C10H21N.C9H20N2.C9H19NO2S.3C9H17NO.3C9H19NO.C9H19N.C9H18.C9H12.C8H17NO.3C8H11N.C7H11N.C7H10O.C7H10S.3C6H10N2.2C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)15-6-4-11(5-7-15)8-12(13,14)9-11;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-7-6-11(4,5)15(13,14)9-8-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-4-7-13(11,12)8-6-10;3*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8(7)11;1-9(2,3)10-8-6-4-5-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)9-7-4-5-10-6-7;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;3*1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)8-3-6-7-4-8/h4-9H2,1-3H3;4-10H2,1-3H3;6-9H2,1-5H3;9-10H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-8H,1-2H3;7,9H,4-6H2,1-3H3;3*3-7H,1-2H3;4-6H,3H2,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole has a molecular weight of 4611.40 g/mol, XLogP of 62.07, 17 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-(tert-butylamino)cyclopentan-1-ol;7-tert-butyl-7-azaspiro[3.5]nonane;1-tert-butylazepane;N-tert-butylcyclopentanamine;tert-butylcyclopentane;7-tert-butyl-2,2-difluoro-7-azaspiro[3.5]nonane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-7,7-dimethyl-1,4-thiazepane 1,1-dioxide;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;tris(5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane);N-tert-butyloxolan-3-amine;4-tert-butyl-1,4-thiazepane 1,1-dioxide;cumene;2-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 160717773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).