5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine

C188H309N23O2S — CID 160601053

IUPAC5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)N1CCC2(CCCC(=O)N2)CC1.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2NCCC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCn2cncc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2c(c1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2
InChIInChI=1S/C13H24N2O.C13H26N2.2C13H19N.C13H18O.2C12H18N2.C12H17N.C11H16N2.C11H22N2.C10H17N3.C10H18.C10H14.C9H14N2S.C9H13N.C9H19N.C8H17N/c1-12(2,3)15-9-7-13(8-10-15)6-4-5-11(16)14-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)13-7-5-10-9(8-13)4-6-12-10;1-10(2,3)13-5-4-12-8-11-6-9(12)7-13;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h4-10H2,1-3H3,(H,14,16);14H,4-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;6,8,13H,4-5,7H2,1-3H3;6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;9-10,12H,4-8H2,1-3H3;6,8H,4-5,7H2,1-3H3;7H,4-6,8H2,1-3H3;4-8H,1-3H3;10H,4-5H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyREGXLVVGUSFOHL-UHFFFAOYSA-N
MW2955.77 g/mol
LogP39.98
Rot. Bonds

About 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine

5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine (PubChem CID 160601053) has the molecular formula C188H309N23O2S and a molecular weight of 2955.77 g/mol. Its IUPAC name is 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine
PubChem CID160601053
Molecular FormulaC188H309N23O2S
Molecular Weight2955.77 g/mol
Exact Mass2953.45
IUPAC Name5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)N1CCC2(CCCC(=O)N2)CC1.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2NCCC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCn2cncc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2c(c1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2
InChIInChI=1S/C13H24N2O.C13H26N2.2C13H19N.C13H18O.2C12H18N2.C12H17N.C11H16N2.C11H22N2.C10H17N3.C10H18.C10H14.C9H14N2S.C9H13N.C9H19N.C8H17N/c1-12(2,3)15-9-7-13(8-10-15)6-4-5-11(16)14-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)13-7-5-10-9(8-13)4-6-12-10;1-10(2,3)13-5-4-12-8-11-6-9(12)7-13;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h4-10H2,1-3H3,(H,14,16);14H,4-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;6,8,13H,4-5,7H2,1-3H3;6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;9-10,12H,4-8H2,1-3H3;6,8H,4-5,7H2,1-3H3;7H,4-6,8H2,1-3H3;4-8H,1-3H3;10H,4-5H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyREGXLVVGUSFOHL-UHFFFAOYSA-N
XLogP39.98
TPSA230.73 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002955.77
LogP ≤ 539.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine with MolForge

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Related Compounds

CID 157442309
CID 157442309
(1S,5R)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158484816
(1S,5R)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161247349
1-cyano-N-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-15-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
CID 158150347
8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
CID 158642913
tert-butylbenzene;6-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;N-tert-butylimidazo[1,2-a]pyridine-8-carboxamide;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydroquinoline;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;3-(2,2-dimethylpropyl)-[1,2]thiazolo[4,5-b]pyrazine;3,3-dimethyl-1-pyridin-2-ylbutan-1-one;(2-methylpropan-2-yl)oxybenzene
CID 158898887
ethane;2-ethyl-1,3-benzothiazole;3-ethyl-3,4-dihydro-2H-chromene;2-ethyl-2,3-dihydro-1H-indole;3-ethyl-3,4-dihydro-1H-quinolin-2-one;1-ethylisoquinoline;3-ethylisoquinoline;2-ethyl-7H-purine;6-ethyl-7H-purine;8-ethyl-7H-purine;2-ethylquinazoline;4-ethylquinazoline;2-ethylquinoline;2-ethylquinoxaline;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-ethyl-1,2,3,4-tetrahydroisoquinoline;2-ethyl-1,2,3,4-tetrahydronaphthalene;3-ethyl-1,2,3,4-tetrahydroquinoline
CID 160008842
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;6-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;9-tert-butyl-2-methylidene-1,9-diazaspiro[5.5]undecane;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline)
CID 161343716
1-cyano-N-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-15-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);1-cyano-16-methyl-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;16-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide
CID 162133957
4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
CID 167644806

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine (CID 160601053) is 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine is CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCC2(CCCC(=O)N2)CC1.CC(C)(C)N1CCC2(CCCCN2)CC1.CC(C)(C)N1CCC2NCCC2C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCn2cncc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)CCNC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2c(c1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2.
What is the InChIKey of 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine?
The InChIKey is REGXLVVGUSFOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C13H26N2.2C13H19N.C13H18O.2C12H18N2.C12H17N.C11H16N2.C11H22N2.C10H17N3.C10H18.C10H14.C9H14N2S.C9H13N.C9H19N.C8H17N/c1-12(2,3)15-9-7-13(8-10-15)6-4-5-11(16)14-13;1-12(2,3)15-10-7-13(8-11-15)6-4-5-9-14-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)13-7-5-10-9(8-13)4-6-12-10;1-10(2,3)13-5-4-12-8-11-6-9(12)7-13;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h4-10H2,1-3H3,(H,14,16);14H,4-11H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;6,8,13H,4-5,7H2,1-3H3;6-7,13H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4,6,12H,5,7H2,1-3H3;9-10,12H,4-8H2,1-3H3;6,8H,4-5,7H2,1-3H3;7H,4-6,8H2,1-3H3;4-8H,1-3H3;10H,4-5H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine?
5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine has a molecular weight of 2955.77 g/mol, XLogP of 39.98, 0 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine;tert-butylbenzene;1-tert-butylcyclohexene;9-tert-butyl-1,9-diazaspiro[5.5]undecane;9-tert-butyl-1,9-diazaspiro[5.5]undecan-2-one;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-tert-butyl-5,6,7,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 160601053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).