Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
C191H394F3N19O9 — CID 159629794
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACcumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
SMILESCC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(C2COC2)CC1.CC(C)CCN1CCN(CC(C)(C)O)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCC(C)C.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C
InChIInChI=1S/C13H28N2O.C12H24N2O.C11H25N.C10H22N2.C10H21NO.2C10H21N.C10H23N.2C9H19NO.C9H21N.C9H12.C8H18N2.C8H14N2.C8H11N.C8H16O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H12O/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3,4)16;1-11(2)3-4-13-5-7-14(8-6-13)12-9-15-10-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-10(2)6-9-11-7-4-3-5-8-11;1-5-11(6-2)9-7-8-10(3)4;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-5(2)3-4-6/h12,16H,5-11H2,1-4H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;10H,5-9H2,1-4H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyMOYXGBMODCTCAF-UHFFFAOYSA-N
MW3158.37 g/mol
LogP42.45
Rot. Bonds64
About Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine (PubChem CID 159629794) has the molecular formula C191H394F3N19O9 and a molecular weight of 3158.37 g/mol. Its IUPAC name is cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine.
Molecular Properties
| Compound Name | Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine |
|---|---|
| PubChem CID | 159629794 |
| Molecular Formula | C191H394F3N19O9 |
| Molecular Weight | 3158.37 g/mol |
| Exact Mass | 3156.09 |
| IUPAC Name | cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine |
| SMILES | CC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(C2COC2)CC1.CC(C)CCN1CCN(CC(C)(C)O)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCC(C)C.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C |
| InChI | InChI=1S/C13H28N2O.C12H24N2O.C11H25N.C10H22N2.C10H21NO.2C10H21N.C10H23N.2C9H19NO.C9H21N.C9H12.C8H18N2.C8H14N2.C8H11N.C8H16O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H12O/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3,4)16;1-11(2)3-4-13-5-7-14(8-6-13)12-9-15-10-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-10(2)6-9-11-7-4-3-5-8-11;1-5-11(6-2)9-7-8-10(3)4;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-5(2)3-4-6/h12,16H,5-11H2,1-4H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;10H,5-9H2,1-4H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3 |
| InChIKey | MOYXGBMODCTCAF-UHFFFAOYSA-N |
| XLogP | 42.45 |
| TPSA | 209.62 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 222 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3158.37 |
| LogP ≤ 5 | 42.45 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The IUPAC name of Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine (CID 159629794) is cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine.
What is the SMILES notation for Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The canonical SMILES for Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine is CC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN(C2COC2)CC1.CC(C)CCN1CCN(CC(C)(C)O)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCC(C)C.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C.
What is the InChIKey of Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The InChIKey is MOYXGBMODCTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C12H24N2O.C11H25N.C10H22N2.C10H21NO.2C10H21N.C10H23N.2C9H19NO.C9H21N.C9H12.C8H18N2.C8H14N2.C8H11N.C8H16O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H12O/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3,4)16;1-11(2)3-4-13-5-7-14(8-6-13)12-9-15-10-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-10(2)6-9-11-7-4-3-5-8-11;1-5-11(6-2)9-7-8-10(3)4;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-5(2)3-4-6/h12,16H,5-11H2,1-4H3;11-12H,3-10H2,1-2H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;10H,5-9H2,1-4H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine has a molecular weight of 3158.37 g/mol, XLogP of 42.45, 64 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for Cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine is sourced from PubChem (CID 159629794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159629794 — identifiers, structure, computed properties (public domain)
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