1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

C235H348BrN13O5 — CID 159730257

IUPAC1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)Cc1ccco1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1cccc2c1C=CC2.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCCC1.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1N1CCCC1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnn(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc2c(c1C(C)C)C=CC2
InChIInChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H19N.C13H17N.C13H16.2C13H20.C12H18N2.C12H14.C11H16O.3C10H17N.C10H11N.C9H11Br.2C9H16N2.C8H12O/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-11-6-10(9)8(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)6-8-4-3-5-9-8/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;1,7-10,12H,2-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;6-10H,1-5H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;3-5,7-9H,6H2,1-2H3;4-9,12H,1-3H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;2*5-8H,1-4H3;3-5,7H,6H2,1-2H3
InChIKeyNBDNLWVSEXFEOK-UHFFFAOYSA-N
MW3515.36 g/mol
LogP67.68
Rot. Bonds46

About 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 159730257) has the molecular formula C235H348BrN13O5 and a molecular weight of 3515.36 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID159730257
Molecular FormulaC235H348BrN13O5
Molecular Weight3515.36 g/mol
Exact Mass3511.66
IUPAC Name1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)Cc1ccco1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1cccc2c1C=CC2.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCCC1.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1N1CCCC1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnn(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc2c(c1C(C)C)C=CC2
InChIInChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H19N.C13H17N.C13H16.2C13H20.C12H18N2.C12H14.C11H16O.3C10H17N.C10H11N.C9H11Br.2C9H16N2.C8H12O/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-11-6-10(9)8(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)6-8-4-3-5-9-8/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;1,7-10,12H,2-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;6-10H,1-5H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;3-5,7-9H,6H2,1-2H3;4-9,12H,1-3H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;2*5-8H,1-4H3;3-5,7H,6H2,1-2H3
InChIKeyNBDNLWVSEXFEOK-UHFFFAOYSA-N
XLogP67.68
TPSA207.81 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms254
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003515.36
LogP ≤ 567.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 159730257) is 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is C#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)Cc1ccco1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1cccc2c1C=CC2.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCCC1.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1N1CCCC1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnn(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc2c(c1C(C)C)C=CC2.
What is the InChIKey of 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is NBDNLWVSEXFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H19N.C13H17N.C13H16.2C13H20.C12H18N2.C12H14.C11H16O.3C10H17N.C10H11N.C9H11Br.2C9H16N2.C8H12O/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-11-6-10(9)8(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)6-8-4-3-5-9-8/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;1,7-10,12H,2-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;6-10H,1-5H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;3-5,7-9H,6H2,1-2H3;4-9,12H,1-3H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;2*5-8H,1-4H3;3-5,7H,6H2,1-2H3.
What are the key properties of 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 3515.36 g/mol, XLogP of 67.68, 46 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 159730257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).