tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane

C274H505ClF2N24O7 — CID 158368435

IUPACtert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
SMILESCC(C)(C)C#N.CC(C)(C)C1CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc(F)ccc1CN.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(=O)O.CC(C)(C)c1ccccc1CN.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)C(C)(C)C.CC(C)CN(C)C(C)C.CC(C)N(C)C(C)C.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)NC(C)C.CC(C)NC1CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CN(C)C.CCCc1ccccc1C(C)(C)C.CCN(CC)C(C)C.CCN(CCN1CCOCC1)C(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1.COc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H20.C12H19N.C12H18.C11H16FN.C11H24N2O.C11H17N.C11H14O2.C11H16O.2C11H16.C10H13Cl.C10H13F.2C10H22N2.C10H14.C9H20N2O.2C9H20N2.C8H17NO.2C8H17N.C8H19N.2C7H17N.C7H14.C7H16.C6H13N.C6H15N.C6H14O.C5H9N/c1-5-8-11-9-6-7-10-12(11)13(2,3)4;1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-11(2,3)10-6-9(12)5-4-8(10)7-13;1-4-13(11(2)3)6-5-12-7-9-14-10-8-12;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-4-6-8(9)10(12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-6-4-5-7-9(8)11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-9(5)8(3)4;1-6(2)8(5)7(3)4;1-5-8(6-2)7(3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5(2)7-6-3-4-6;2*1-5(2)7-6(3)4;1-5(2,3)4-6/h6-7,9-10H,5,8H2,1-4H3;5-8,10H,9H2,1-4H3;5-10H,1-4H3;4-6H,7,13H2,1-3H3;11H,4-10H2,1-3H3;4-7H,8,12H2,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*9-10H,5-8H2,1-4H3;4-8H,1-3H3;9,12H,3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,6H2,1-5H3;6-7H,1-5H3;7H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;1-3H3
InChIKeyGUHUGCJCDKNGHI-UHFFFAOYSA-N
MW4321.66 g/mol
LogP65.11
Rot. Bonds40

About tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane

tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane (PubChem CID 158368435) has the molecular formula C274H505ClF2N24O7 and a molecular weight of 4321.66 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
PubChem CID158368435
Molecular FormulaC274H505ClF2N24O7
Molecular Weight4321.66 g/mol
Exact Mass4317.96
IUPAC Nametert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
SMILESCC(C)(C)C#N.CC(C)(C)C1CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc(F)ccc1CN.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(=O)O.CC(C)(C)c1ccccc1CN.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)C(C)(C)C.CC(C)CN(C)C(C)C.CC(C)N(C)C(C)C.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)NC(C)C.CC(C)NC1CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CN(C)C.CCCc1ccccc1C(C)(C)C.CCN(CC)C(C)C.CCN(CCN1CCOCC1)C(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1.COc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H20.C12H19N.C12H18.C11H16FN.C11H24N2O.C11H17N.C11H14O2.C11H16O.2C11H16.C10H13Cl.C10H13F.2C10H22N2.C10H14.C9H20N2O.2C9H20N2.C8H17NO.2C8H17N.C8H19N.2C7H17N.C7H14.C7H16.C6H13N.C6H15N.C6H14O.C5H9N/c1-5-8-11-9-6-7-10-12(11)13(2,3)4;1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-11(2,3)10-6-9(12)5-4-8(10)7-13;1-4-13(11(2)3)6-5-12-7-9-14-10-8-12;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-4-6-8(9)10(12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-6-4-5-7-9(8)11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-9(5)8(3)4;1-6(2)8(5)7(3)4;1-5-8(6-2)7(3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5(2)7-6-3-4-6;2*1-5(2)7-6(3)4;1-5(2,3)4-6/h6-7,9-10H,5,8H2,1-4H3;5-8,10H,9H2,1-4H3;5-10H,1-4H3;4-6H,7,13H2,1-3H3;11H,4-10H2,1-3H3;4-7H,8,12H2,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*9-10H,5-8H2,1-4H3;4-8H,1-3H3;9,12H,3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,6H2,1-5H3;6-7H,1-5H3;7H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;1-3H3
InChIKeyGUHUGCJCDKNGHI-UHFFFAOYSA-N
XLogP65.11
TPSA255.90 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004321.66
LogP ≤ 565.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 159053491
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 160968356
CID 158354675
CID 158354675
tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-propan-2-ylpiperidine
CID 160312416

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane?
The IUPAC name of tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane (CID 158368435) is tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane.
What is the SMILES notation for tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane?
The canonical SMILES for tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane is CC(C)(C)C#N.CC(C)(C)C1CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc(F)ccc1CN.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(=O)O.CC(C)(C)c1ccccc1CN.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)C(C)(C)C.CC(C)CN(C)C(C)C.CC(C)N(C)C(C)C.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)NC(C)C.CC(C)NC1CC1.CC(C)OC(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CN(C)C.CCCc1ccccc1C(C)(C)C.CCN(CC)C(C)C.CCN(CCN1CCOCC1)C(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1.COc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane?
The InChIKey is GUHUGCJCDKNGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H19N.C12H18.C11H16FN.C11H24N2O.C11H17N.C11H14O2.C11H16O.2C11H16.C10H13Cl.C10H13F.2C10H22N2.C10H14.C9H20N2O.2C9H20N2.C8H17NO.2C8H17N.C8H19N.2C7H17N.C7H14.C7H16.C6H13N.C6H15N.C6H14O.C5H9N/c1-5-8-11-9-6-7-10-12(11)13(2,3)4;1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-11(2,3)10-6-9(12)5-4-8(10)7-13;1-4-13(11(2)3)6-5-12-7-9-14-10-8-12;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-4-6-8(9)10(12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-6-4-5-7-9(8)11;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-9(5)8(3)4;1-6(2)8(5)7(3)4;1-5-8(6-2)7(3)4;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5(2)7-6-3-4-6;2*1-5(2)7-6(3)4;1-5(2,3)4-6/h6-7,9-10H,5,8H2,1-4H3;5-8,10H,9H2,1-4H3;5-10H,1-4H3;4-6H,7,13H2,1-3H3;11H,4-10H2,1-3H3;4-7H,8,12H2,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;2*5-8H,1-4H3;2*4-7H,1-3H3;2*9-10H,5-8H2,1-4H3;4-8H,1-3H3;9,12H,3-8H2,1-2H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,6H2,1-5H3;6-7H,1-5H3;7H,5-6H2,1-4H3;6H,4-5H2,1-3H3;6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane?
tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane has a molecular weight of 4321.66 g/mol, XLogP of 65.11, 40 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane is sourced from PubChem (CID 158368435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).