1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
C265H437N30O+ — CID 159213444
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)C1c2ccncc2C=[N+]1C(C)C.CC(C)c1c2ccccc2nn1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cccnc2n1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C
InChIInChI=1S/C16H25N.4C15H23N.C15H19N.C14H21N.C14H19N.C13H19N2.2C13H18N2.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.10CH4/c1-12(2)16-11-15-8-6-5-7-14(15)9-10-17(16)13(3)4;2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-12-5-6-14-7-11(12)8-15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;;;;;;;;;;/h5-8,12-13,16H,9-11H2,1-4H3;3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11H,1-4H3;5-10,13H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;10*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyODCPDPXMZKKSJE-UHFFFAOYSA-N
MW4059.62 g/mol
LogP75.13
Rot. Bonds42
About 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane (PubChem CID 159213444) has the molecular formula C265H437N30O+ and a molecular weight of 4059.62 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane.
Molecular Properties
| Compound Name | 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane |
|---|---|
| PubChem CID | 159213444 |
| Molecular Formula | C265H437N30O+ |
| Molecular Weight | 4059.62 g/mol |
| Exact Mass | 4056.51 |
| IUPAC Name | 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane |
| SMILES | C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)C1c2ccncc2C=[N+]1C(C)C.CC(C)c1c2ccccc2nn1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cccnc2n1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C |
| InChI | InChI=1S/C16H25N.4C15H23N.C15H19N.C14H21N.C14H19N.C13H19N2.2C13H18N2.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.10CH4/c1-12(2)16-11-15-8-6-5-7-14(15)9-10-17(16)13(3)4;2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-12-5-6-14-7-11(12)8-15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;;;;;;;;;;/h5-8,12-13,16H,9-11H2,1-4H3;3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11H,1-4H3;5-10,13H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;10*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | ODCPDPXMZKKSJE-UHFFFAOYSA-N |
| XLogP | 75.13 |
| TPSA | 276.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 296 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4059.62 |
| LogP ≤ 5 | 75.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The IUPAC name of 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane (CID 159213444) is 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane.
What is the SMILES notation for 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The canonical SMILES for 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane is C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCN1C(C)C.CC(C)C1Cc2ccccc2CCN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1Cc2ccccc2CN1C(C)C.CC(C)C1c2ccccc2CCN1C(C)C.CC(C)C1c2ccccc2CN1C(C)C.CC(C)C1c2ccncc2C=[N+]1C(C)C.CC(C)c1c2ccccc2nn1C(C)C.CC(C)c1cc2c(nc1C(C)C)CCCC2.CC(C)c1cc2ccccc2n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cc2cccnc2n1C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1ncnn1C(C)C.CC(C)c1ncoc1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
The InChIKey is ODCPDPXMZKKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.4C15H23N.C15H19N.C14H21N.C14H19N.C13H19N2.2C13H18N2.2C11H17N.2C10H16N2.C10H21N.C10H17N.2C9H16N2.C9H15NO.C8H15N3.10CH4/c1-12(2)16-11-15-8-6-5-7-14(15)9-10-17(16)13(3)4;2*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)15-14-8-6-5-7-13(14)9-10-16(15)12(3)4;2*1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)14-13-8-6-5-7-12(13)9-15(14)11(3)4;1-10(2)14-9-12-7-5-6-8-13(12)15(14)11(3)4;1-9(2)13-12-5-6-14-7-11(12)8-15(13)10(3)4;1-9(2)12-8-11-6-5-7-14-13(11)15(12)10(3)4;1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-9-5-10-11(8)7(3)4;;;;;;;;;;/h5-8,12-13,16H,9-11H2,1-4H3;3*5-8,11-12,15H,9-10H2,1-4H3;9-11H,5-8H2,1-4H3;5-11H,1-4H3;5-8,10-11,14H,9H2,1-4H3;5-11H,1-4H3;5-10,13H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;2*5-8H,1-4H3;8-10H,5-7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3;10*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane?
1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane has a molecular weight of 4059.62 g/mol, XLogP of 75.13, 42 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)-1H-pyrrolo[3,4-c]pyridin-2-ium;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane is sourced from PubChem (CID 159213444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159213444 — identifiers, structure, computed properties (public domain)
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