1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine

C216H339BrN26O7 — CID 160959760

IUPAC1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine
SMILESC#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C1CC1.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.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H15N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H17N.C11H16.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-5-10-7-6-8-11(13-10)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)8-7-10-6-4-5-9-12-10;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;1-9(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;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;1,6-8H,9H2,2-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3
InChIKeySWWAQYKBYXAQFD-UHFFFAOYSA-N
MW3492.17 g/mol
LogP57.44
Rot. Bonds34

About 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine

1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine (PubChem CID 160959760) has the molecular formula C216H339BrN26O7 and a molecular weight of 3492.17 g/mol. Its IUPAC name is 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine.

Molecular Properties

Compound Name1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine
PubChem CID160959760
Molecular FormulaC216H339BrN26O7
Molecular Weight3492.17 g/mol
Exact Mass3488.62
IUPAC Name1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine
SMILESC#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C1CC1.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.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H15N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H17N.C11H16.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-5-10-7-6-8-11(13-10)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)8-7-10-6-4-5-9-12-10;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;1-9(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;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;1,6-8H,9H2,2-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3
InChIKeySWWAQYKBYXAQFD-UHFFFAOYSA-N
XLogP57.44
TPSA395.56 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003492.17
LogP ≤ 557.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine (CID 160959760) is 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine is C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)CCc1ccccc1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C1CC1.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;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine?
The InChIKey is SWWAQYKBYXAQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H15N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H17N.C11H16.C10H16N2O.C10H16N2.C10H18N2.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-5-10-7-6-8-11(13-10)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)8-7-10-6-4-5-9-12-10;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;1-9(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;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;1,6-8H,9H2,2-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-7,9H,8H2,1-4H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3.
What are the key properties of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine?
1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine has a molecular weight of 3492.17 g/mol, XLogP of 57.44, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;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;2-(3,3-dimethylbutyl)pyridine;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)-6-ethynylpyridine;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;2-(2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 160959760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).