1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane

C219H360BrN29O7 — CID 157174628

IUPAC1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane
SMILESC.C.C.C.C.C.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccncn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1cccnc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C14H20N2.C13H20N2O.C13H19N.C12H18N2.C12H19N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H14N2.C11H16.C10H16N2O.C10H16N2.C10H18N2.C10H16N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18.6CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-13(2,3)9-11-5-4-8-14-12(11)10-6-7-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)6-4-9-5-7-11-8-12-9;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4;;;;;;/h5-8H,9-10H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;5,7-8H,4,6H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3;6*1H4
InChIKeyANWCBJPMOZGVBI-UHFFFAOYSA-N
MW3591.39 g/mol
LogP59.94
Rot. Bonds34

About 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane

1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane (PubChem CID 157174628) has the molecular formula C219H360BrN29O7 and a molecular weight of 3591.39 g/mol. Its IUPAC name is 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane.

Molecular Properties

Compound Name1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane
PubChem CID157174628
Molecular FormulaC219H360BrN29O7
Molecular Weight3591.39 g/mol
Exact Mass3587.79
IUPAC Name1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane
SMILESC.C.C.C.C.C.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccncn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1cccnc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C14H20N2.C13H20N2O.C13H19N.C12H18N2.C12H19N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H14N2.C11H16.C10H16N2O.C10H16N2.C10H18N2.C10H16N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18.6CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-13(2,3)9-11-5-4-8-14-12(11)10-6-7-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)6-4-9-5-7-11-8-12-9;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4;;;;;;/h5-8H,9-10H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;5,7-8H,4,6H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3;6*1H4
InChIKeyANWCBJPMOZGVBI-UHFFFAOYSA-N
XLogP59.94
TPSA445.13 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003591.39
LogP ≤ 559.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane?
The IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane (CID 157174628) is 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane.
What is the SMILES notation for 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane?
The canonical SMILES for 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane is C.C.C.C.C.C.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccncn1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1cccnc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CC(CC(C)(C)C)n1cccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane?
The InChIKey is ANWCBJPMOZGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C13H20N2O.C13H19N.C12H18N2.C12H19N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H14N2.C11H16.C10H16N2O.C10H16N2.C10H18N2.C10H16N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18.6CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;1-13(2,3)9-11-5-4-8-14-12(11)10-6-7-10;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-9(12-7-8)5-10(2,3)4;1-9(8-10(2,3)4)12-7-5-6-11-12;1-10(2,3)6-4-9-5-7-11-8-12-9;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4;;;;;;/h5-8H,9-10H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;5,7-8H,4,6H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3;6*1H4.
What are the key properties of 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane?
1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane has a molecular weight of 3591.39 g/mol, XLogP of 59.94, 34 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-3-(2,2-dimethylpropyl)pyridine;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;4-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylhexane;1-(4,4-dimethylpentan-2-yl)pyrazole;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine;methane is sourced from PubChem (CID 157174628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).