1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane

C116H163FN8O5S — CID 158495285

IUPAC1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane
SMILESC.CC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H15NO.C10H15N.C10H16S.CH4/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4;/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,9H2,1-3H3;5-7H,1-4H3;5-6H,7H2,1-4H3;1H4
InChIKeyHJEZZYJNTFPQDE-UHFFFAOYSA-N
MW1800.70 g/mol
LogP31.04
Rot. Bonds14

About 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane

1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane (PubChem CID 158495285) has the molecular formula C116H163FN8O5S and a molecular weight of 1800.70 g/mol. Its IUPAC name is 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane.

Molecular Properties

Compound Name1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane
PubChem CID158495285
Molecular FormulaC116H163FN8O5S
Molecular Weight1800.70 g/mol
Exact Mass1799.25
IUPAC Name1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane
SMILESC.CC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H15NO.C10H15N.C10H16S.CH4/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4;/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,9H2,1-3H3;5-7H,1-4H3;5-6H,7H2,1-4H3;1H4
InChIKeyHJEZZYJNTFPQDE-UHFFFAOYSA-N
XLogP31.04
TPSA168.40 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.70
LogP ≤ 531.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane with MolForge

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Related Compounds

1-(2-tert-butylcyclopropyl)-4-fluorocyclohexane;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-4-fluorobenzene;2-(2,2-dimethylpropyl)-5-methylthiophene;2,3,3-trimethylbutoxymethylbenzene
CID 159000610
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate
CID 167699807
2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropoxy)-2-ethylbenzene;methyl 3-tert-butylbenzoate
CID 158137994
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene
CID 158488321
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene
CID 159007411
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropoxy)-2-ethylbenzene;2-(2,2-dimethylpropyl)-5-methylthiophene;methyl 5-tert-butylpyridine-3-carboxylate
CID 159468904

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane?
The IUPAC name of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane (CID 158495285) is 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane.
What is the SMILES notation for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane?
The canonical SMILES for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane is C.CC(C)(C)C1CC1c1ccc(F)cc1.CC(C)(C)C1CCCN(c2cnccn2)C1.CC(C)(C)COc1ccc2c(c1)CCC2.CC(C)(C)COc1cccc(C#N)c1.CC(C)(C)c1ccc(NC(=O)c2ccccn2)cc1.CC(C)(C)c1ccc(OCC2CC2)cc1.CC(Oc1ccc(C#N)cc1)C(C)(C)C.Cc1ccc(CC(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane?
The InChIKey is HJEZZYJNTFPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2C14H20O.C13H17F.C13H21N3.C13H17NO.C12H15NO.C10H15N.C10H16S.CH4/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14;1-14(2,3)12-6-8-13(9-7-12)15-10-11-4-5-11;1-14(2,3)10-15-13-8-7-11-5-4-6-12(11)9-13;1-13(2,3)12-8-11(12)9-4-6-10(14)7-5-9;1-13(2,3)11-5-4-8-16(10-11)12-9-14-6-7-15-12;1-10(13(2,3)4)15-12-7-5-11(9-14)6-8-12;1-12(2,3)9-14-11-6-4-5-10(7-11)8-13;1-8-6-5-7-9(11-8)10(2,3)4;1-8-5-6-9(11-8)7-10(2,3)4;/h4-11H,1-3H3,(H,18,19);6-9,11H,4-5,10H2,1-3H3;7-9H,4-6,10H2,1-3H3;4-7,11-12H,8H2,1-3H3;6-7,9,11H,4-5,8,10H2,1-3H3;5-8,10H,1-4H3;4-7H,9H2,1-3H3;5-7H,1-4H3;5-6H,7H2,1-4H3;1H4.
What are the key properties of 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane?
1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane has a molecular weight of 1800.70 g/mol, XLogP of 31.04, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylcyclopropyl)-4-fluorobenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;2-tert-butyl-6-methylpyridine;N-(4-tert-butylphenyl)pyridine-2-carboxamide;2-(3-tert-butylpiperidin-1-yl)pyrazine;4-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(2,2-dimethylpropoxy)benzonitrile;5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;2-(2,2-dimethylpropyl)-5-methylthiophene;methane is sourced from PubChem (CID 158495285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).