3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole

C185H237N23OS — CID 157302137

About 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole

3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole (PubChem CID 157302137) has the molecular formula C185H237N23OS and a molecular weight of 2831.16 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole
• PubChem CID: 157302137
• Molecular Formula: C185H237N23OS
• Molecular Weight: 2831.16 g/mol
• Exact Mass: 2828.89
• IUPAC Name: 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole
• SMILES: CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-n2cccc2)cc1.CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(C2=CCN=C2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CN(C)CC#Cc1ccc(C(C)(C)C)cc1.CN(C)CCCNc1ncnc2c1cnn2-c1ccc(C(C)(C)C)cc1.Cc1csc2c(-c3ccc(C(C)(C)C)cc3)ncnc12.Cn1ccnc1-c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1cccnc1-c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ncccc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C20H28N6.C17H18N2S.C16H24N2O.2C16H16N2.2C15H23N.C15H21N.C14H18N2.2C14H17N.C13H16N2/c1-20(2,3)15-7-9-16(10-8-15)26-19-17(13-24-26)18(22-14-23-19)21-11-6-12-25(4)5;1-11-9-20-16-14(11)18-10-19-15(16)12-5-7-13(8-6-12)17(2,3)4;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-16(2,3)13-9-7-12(8-10-13)15-14(17-4)6-5-11-18-15;1-16(2,3)13-9-7-12(8-10-13)14-6-5-11-18-15(14)17-4;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-15(2,3)14-10-8-13(9-11-14)7-6-12-16(4)5;1-14(2,3)12-7-5-11(6-8-12)13-15-9-10-16(13)4;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h7-10,13-14H,6,11-12H2,1-5H3,(H,21,22,23);5-10H,1-4H3;5-8H,9-12H2,1-4H3;2*5-11H,1-3H3;2*7-10H,4-6,11-12H2,1-3H3;8-11H,12H2,1-5H3;5-10H,1-4H3;4-8,10H,9H2,1-3H3;4-11H,1-3H3;4-10H,1-3H3
• InChIKey: BCAKDMOLVSNDGJ-UHFFFAOYSA-N
• XLogP: 44.91
• TPSA: 205.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2831.16
LogP ≤ 5	44.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole?

The IUPAC name of 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole (CID 157302137) is 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole?

The canonical SMILES for 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole is CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-n2cccc2)cc1.CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(C2=CCN=C2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CN(C)CC#Cc1ccc(C(C)(C)C)cc1.CN(C)CCCNc1ncnc2c1cnn2-c1ccc(C(C)(C)C)cc1.Cc1csc2c(-c3ccc(C(C)(C)C)cc3)ncnc12.Cn1ccnc1-c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1cccnc1-c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ncccc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole?

The InChIKey is BCAKDMOLVSNDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6.C17H18N2S.C16H24N2O.2C16H16N2.2C15H23N.C15H21N.C14H18N2.2C14H17N.C13H16N2/c1-20(2,3)15-7-9-16(10-8-15)26-19-17(13-24-26)18(22-14-23-19)21-11-6-12-25(4)5;1-11-9-20-16-14(11)18-10-19-15(16)12-5-7-13(8-6-12)17(2,3)4;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-16(2,3)13-9-7-12(8-10-13)15-14(17-4)6-5-11-18-15;1-16(2,3)13-9-7-12(8-10-13)14-6-5-11-18-15(14)17-4;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-15(2,3)14-10-8-13(9-11-14)7-6-12-16(4)5;1-14(2,3)12-7-5-11(6-8-12)13-15-9-10-16(13)4;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h7-10,13-14H,6,11-12H2,1-5H3,(H,21,22,23);5-10H,1-4H3;5-8H,9-12H2,1-4H3;2*5-11H,1-3H3;2*7-10H,4-6,11-12H2,1-3H3;8-11H,12H2,1-5H3;5-10H,1-4H3;4-8,10H,9H2,1-3H3;4-11H,1-3H3;4-10H,1-3H3.

What are the key properties of 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole?

3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole has a molecular weight of 2831.16 g/mol, XLogP of 44.91, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N,N-dimethylprop-2-yn-1-amine;2-(4-tert-butylphenyl)-3-isocyanopyridine;3-(4-tert-butylphenyl)-2-isocyanopyridine;2-(4-tert-butylphenyl)-1-methylimidazole;4-(4-tert-butylphenyl)-7-methylthieno[3,2-d]pyrimidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)pyrazole;N-[1-(4-tert-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-(4-tert-butylphenyl)pyrrole;4-(4-tert-butylphenyl)-2H-pyrrole is sourced from PubChem (CID 157302137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).