4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane

C153H205FN18O11 — CID 157343027

IUPAC4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane
SMILESC.C.C.CC.CC#Cc1cn(C(C)(C)C)c(=O)c2c(C)cccc12.CC(=O)Nc1ccc2ccc(C(C)(C)C)nc2n1.CC(=O)Nc1ccc2ccc3c(nc(C)n3C(C)(C)C)c2c1.CC(C)(C)c1cc2c(cc1[N+](=O)[O-])OCO2.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)n1ccc2cc([N+](=O)[O-])ccc21.Cc1ccc(C)c(F)c1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1cccc2c1ncn2C(C)(C)C.Cc1cccc2ccn(C(C)(C)C)c(=O)c12.Cc1ccn(C(C)(C)C)c1
InChIInChI=1S/C18H21N3O.C17H19NO.C14H17N3O.2C14H17NO.C12H14N2O2.C12H16N2.C11H13NO4.C10H15N.C9H14N2.C9H15N.C8H9F.C2H6.3CH4/c1-11-19-17-15-10-14(20-12(2)22)8-6-13(15)7-9-16(17)21(11)18(3,4)5;1-6-8-13-11-18(17(3,4)5)16(19)15-12(2)9-7-10-14(13)15;1-9(18)15-12-8-6-10-5-7-11(14(2,3)4)16-13(10)17-12;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-6-5-7-11-8-9-15(14(2,3)4)13(16)12(10)11;1-12(2,3)13-7-6-9-8-10(14(15)16)4-5-11(9)13;1-9-6-5-7-10-11(9)13-8-14(10)12(2,3)4;1-11(2,3)7-4-9-10(16-6-15-9)5-8(7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(10)11-6-7;1-8-5-6-10(7-8)9(2,3)4;1-6-3-4-7(2)8(9)5-6;1-2;;;/h6-10H,1-5H3,(H,20,22);7,9-11H,1-5H3;5-8H,1-4H3,(H,15,16,17,18);2*5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3;4-7H,11H2,1-3H3;4-6H,1-3H3,(H2,10,11);5-7H,1-4H3;3-5H,1-2H3;1-2H3;3*1H4
InChIKeyBGPWRQZQQPFTDC-UHFFFAOYSA-N
MW2491.44 g/mol
LogP38.14
Rot. Bonds4

About 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane

4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane (PubChem CID 157343027) has the molecular formula C153H205FN18O11 and a molecular weight of 2491.44 g/mol. Its IUPAC name is 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane.

Molecular Properties

Compound Name4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane
PubChem CID157343027
Molecular FormulaC153H205FN18O11
Molecular Weight2491.44 g/mol
Exact Mass2489.60
IUPAC Name4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane
SMILESC.C.C.CC.CC#Cc1cn(C(C)(C)C)c(=O)c2c(C)cccc12.CC(=O)Nc1ccc2ccc(C(C)(C)C)nc2n1.CC(=O)Nc1ccc2ccc3c(nc(C)n3C(C)(C)C)c2c1.CC(C)(C)c1cc2c(cc1[N+](=O)[O-])OCO2.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)n1ccc2cc([N+](=O)[O-])ccc21.Cc1ccc(C)c(F)c1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1cccc2c1ncn2C(C)(C)C.Cc1cccc2ccn(C(C)(C)C)c(=O)c12.Cc1ccn(C(C)(C)C)c1
InChIInChI=1S/C18H21N3O.C17H19NO.C14H17N3O.2C14H17NO.C12H14N2O2.C12H16N2.C11H13NO4.C10H15N.C9H14N2.C9H15N.C8H9F.C2H6.3CH4/c1-11-19-17-15-10-14(20-12(2)22)8-6-13(15)7-9-16(17)21(11)18(3,4)5;1-6-8-13-11-18(17(3,4)5)16(19)15-12(2)9-7-10-14(13)15;1-9(18)15-12-8-6-10-5-7-11(14(2,3)4)16-13(10)17-12;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-6-5-7-11-8-9-15(14(2,3)4)13(16)12(10)11;1-12(2,3)13-7-6-9-8-10(14(15)16)4-5-11(9)13;1-9-6-5-7-10-11(9)13-8-14(10)12(2,3)4;1-11(2,3)7-4-9-10(16-6-15-9)5-8(7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(10)11-6-7;1-8-5-6-10(7-8)9(2,3)4;1-6-3-4-7(2)8(9)5-6;1-2;;;/h6-10H,1-5H3,(H,20,22);7,9-11H,1-5H3;5-8H,1-4H3,(H,15,16,17,18);2*5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3;4-7H,11H2,1-3H3;4-6H,1-3H3,(H2,10,11);5-7H,1-4H3;3-5H,1-2H3;1-2H3;3*1H4
InChIKeyBGPWRQZQQPFTDC-UHFFFAOYSA-N
XLogP38.14
TPSA365.15 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.44
LogP ≤ 538.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane with MolForge

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Related Compounds

4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
CID 158804014
4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;2-fluoro-1,4-dimethylbenzene;propane
CID 157116712
1-butyl-3-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)urea;1-tert-butyl-4-methylbenzimidazole;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;2,4-difluoro-1-methylbenzene;propane
CID 157166191
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;bis(5-tert-butylpyridin-2-amine);1-tert-butyl-2,4,5-trimethylbenzene;2-fluoro-1,4-dimethylbenzene;propane
CID 157380074
1-tert-butyl-4-methylbenzimidazole;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;2,4-difluoro-1-methylbenzene;N-(2-methyl-3H-benzo[e]benzimidazol-8-yl)acetamide;2-methylpropane;propane
CID 158088045
4-tert-butylaniline;1-tert-butyl-4-fluoro-2,5-dimethylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine
CID 158177829
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;1-tert-butyl-2,4,5-trimethylbenzene;2,4-difluoro-1-methylbenzene;ethane
CID 158228944
[4-(1,3-benzodioxol-5-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;6-N,9-dimethyl-2-N-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-N,9-dimethyl-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethylphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;[4-(4-fluoroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone;N-(4-fluorophenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine
CID 158285138
1-tert-butyl-4-fluoro-2,5-dimethylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;1-tert-butyl-5-nitrobenzimidazole;5-tert-butyl-6-nitro-1,3-benzodioxole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;bis(5-tert-butylpyridin-2-amine);1-tert-butyl-2,4,5-trimethylbenzene
CID 158286614
1-tert-butyl-2,4-difluoro-5-methylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine
CID 158372004
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;bis(5-tert-butylpyridin-2-amine);2-fluoro-1,4-dimethylbenzene;propane
CID 158466397
1-tert-butyl-4-fluoro-2,5-dimethylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;methane
CID 158487359

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane?
The IUPAC name of 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane (CID 157343027) is 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane.
What is the SMILES notation for 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane?
The canonical SMILES for 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane is C.C.C.CC.CC#Cc1cn(C(C)(C)C)c(=O)c2c(C)cccc12.CC(=O)Nc1ccc2ccc(C(C)(C)C)nc2n1.CC(=O)Nc1ccc2ccc3c(nc(C)n3C(C)(C)C)c2c1.CC(C)(C)c1cc2c(cc1[N+](=O)[O-])OCO2.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)n1ccc2cc([N+](=O)[O-])ccc21.Cc1ccc(C)c(F)c1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.Cc1cccc2c1ncn2C(C)(C)C.Cc1cccc2ccn(C(C)(C)C)c(=O)c12.Cc1ccn(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane?
The InChIKey is BGPWRQZQQPFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C17H19NO.C14H17N3O.2C14H17NO.C12H14N2O2.C12H16N2.C11H13NO4.C10H15N.C9H14N2.C9H15N.C8H9F.C2H6.3CH4/c1-11-19-17-15-10-14(20-12(2)22)8-6-13(15)7-9-16(17)21(11)18(3,4)5;1-6-8-13-11-18(17(3,4)5)16(19)15-12(2)9-7-10-14(13)15;1-9(18)15-12-8-6-10-5-7-11(14(2,3)4)16-13(10)17-12;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-10-6-5-7-11-8-9-15(14(2,3)4)13(16)12(10)11;1-12(2,3)13-7-6-9-8-10(14(15)16)4-5-11(9)13;1-9-6-5-7-10-11(9)13-8-14(10)12(2,3)4;1-11(2,3)7-4-9-10(16-6-15-9)5-8(7)12(13)14;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(10)11-6-7;1-8-5-6-10(7-8)9(2,3)4;1-6-3-4-7(2)8(9)5-6;1-2;;;/h6-10H,1-5H3,(H,20,22);7,9-11H,1-5H3;5-8H,1-4H3,(H,15,16,17,18);2*5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3;4-7H,11H2,1-3H3;4-6H,1-3H3,(H2,10,11);5-7H,1-4H3;3-5H,1-2H3;1-2H3;3*1H4.
What are the key properties of 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane?
4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane has a molecular weight of 2491.44 g/mol, XLogP of 38.14, 4 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylaniline;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;1-tert-butyl-3-methylpyrrole;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;5-tert-butylpyridin-2-amine;ethane;2-fluoro-1,4-dimethylbenzene;methane is sourced from PubChem (CID 157343027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).