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

C186H282N16O5S — CID 167644806

IUPAC4-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
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1ccc(NC2CC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.Cc1ccc2c(c1)CC(C(C)(C)C)O2.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1ccnc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H18O.C15H20N2O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H18O.C12H18N2.C12H20N2.C11H20N2.C11H18N2.C11H17N.C10H19NO.C10H18.C9H20/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4;1-12(2,3)9-4-7-11(13-8-9)14-10-5-6-10;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5/h4-12H,1-3H3;5-10H,11H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;5-7,12H,8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;7H2,1-6H3;5,8-9H,4,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3
InChIKeyPSAOQIXBIRPTMJ-UHFFFAOYSA-N
MW2854.48 g/mol
LogP49.98
Rot. Bonds23

About 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

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 (PubChem CID 167644806) has the molecular formula C186H282N16O5S and a molecular weight of 2854.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID167644806
Molecular FormulaC186H282N16O5S
Molecular Weight2854.48 g/mol
Exact Mass2852.20
IUPAC Name4-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
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1ccc(NC2CC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.Cc1ccc2c(c1)CC(C(C)(C)C)O2.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1ccnc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H18O.C15H20N2O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H18O.C12H18N2.C12H20N2.C11H20N2.C11H18N2.C11H17N.C10H19NO.C10H18.C9H20/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4;1-12(2,3)9-4-7-11(13-8-9)14-10-5-6-10;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5/h4-12H,1-3H3;5-10H,11H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;5-7,12H,8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;7H2,1-6H3;5,8-9H,4,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3
InChIKeyPSAOQIXBIRPTMJ-UHFFFAOYSA-N
XLogP49.98
TPSA225.84 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002854.48
LogP ≤ 549.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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-(1-methylpyrazolo[4,3-b]pyridin-3-yl)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;(1R,5S)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158513087
5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
CID 160075192
[4-[[2-(1,3-Benzothiazol-2-yloxy)-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[3-(prop-1-en-2-ylamino)pyrazol-1-yl]-[4-[[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 160519708
1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
CID 167656030
tert-butylbenzene;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;1-(4-tert-butylphenyl)benzimidazol-2-amine;(1S,9R)-2-(4-tert-butylphenyl)bicyclo[3.3.1]nonan-9-amine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[[1-(4-tert-butylphenyl)-5-methylpyrazol-4-yl]methyl]piperidine;1-(4-tert-butylphenyl)-4-(4-piperidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidine;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;2-(4-tert-butylphenyl)pyrimidine;7-(4-tert-butylphenyl)-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 157512346
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[2-(hydroxymethyl)-4-[[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;5-phenyl-2-pyridin-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine;2-[4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide
CID 157653981
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyridin-2-one;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;7-propan-2-ylpyrido[2,3-b]pyrazine
CID 157664550
Cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 157888685
Cyclohexyl 7-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;cyclohexyl 7-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;oxan-4-yl 7-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate;hydrochloride
CID 158153829
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 158252946
5-tert-butyl-1,3-benzothiazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158471550
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1ccc(NC2CC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.Cc1ccc2c(c1)CC(C(C)(C)C)O2.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1ccnc1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is PSAOQIXBIRPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C15H20N2O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H18O.C12H18N2.C12H20N2.C11H20N2.C11H18N2.C11H17N.C10H19NO.C10H18.C9H20/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4;1-12(2,3)9-4-7-11(13-8-9)14-10-5-6-10;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5/h4-12H,1-3H3;5-10H,11H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;5-7,12H,8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;7H2,1-6H3;5,8-9H,4,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 2854.48 g/mol, XLogP of 49.98, 23 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167644806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).