2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
C141H268F2N16O15 — CID 158153925
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
SMILESC.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1
InChIKeyFVLMDLSNSZVWRG-SUXSFAMFSA-N
MW2465.79 g/mol
LogP30.01
Rot. Bonds30
About 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 158153925) has the molecular formula C141H268F2N16O15 and a molecular weight of 2465.79 g/mol. Its IUPAC name is 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.
Molecular Properties
| Compound Name | 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one |
|---|---|
| PubChem CID | 158153925 |
| Molecular Formula | C141H268F2N16O15 |
| Molecular Weight | 2465.79 g/mol |
| Exact Mass | 2464.07 |
| IUPAC Name | 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one |
| SMILES | C.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1 |
| InChI | InChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1 |
| InChIKey | FVLMDLSNSZVWRG-SUXSFAMFSA-N |
| XLogP | 30.01 |
| TPSA | 308.86 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 174 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2465.79 |
| LogP ≤ 5 | 30.01 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-C-halo', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (CID 158153925) is 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is C.CC.CC.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(=O)CN1CC[C@H](OC(C)(C)C)C1.CC(=O)[C@H]1C[C@@H]1C.CC(C)(C)OCC1[C@H]2CCC[C@@H]12.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC[C@H]1C[C@@H]1C.CCn1cc(COC(C)(C)C)cn1.CN1CCCC(OC(C)(C)C)C1.CNC(=O)C1CC1C(C)(C)C.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is FVLMDLSNSZVWRG-SUXSFAMFSA-N. The full InChI is InChI=1S/C13H24FNO.C12H22FNO.2C11H21NO2.C11H20O.2C10H18N2O.C10H21NO.3C9H16N2O.C9H17NO.C6H10O.C6H12.2C2H6.CH4/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;2*1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-11(2,3)12-7-10-8-5-4-6-9(8)10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)12-9-6-5-7-11(4)8-9;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)7-5-6(7)8(11)10-4;1-4-3-6(4)5(2)7;1-3-6-4-5(6)2;2*1-2;/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,10,11);4,6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;2*1-2H3;1H4/t9?,10-,11+,12?;8?,9-,10+,11?;10-;;8-,9+,10?;;;;;;;;4-,6-;5-,6-;;;/m..0.........00.../s1.
What are the key properties of 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2465.79 g/mol, XLogP of 30.01, 30 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 158153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158153925 — identifiers, structure, computed properties (public domain)
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