1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
C182H361F4N21O17S — CID 163611791
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)OCCc1ccccn1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CC1(F)CN(CCOC(C)(C)C)C1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C11H22FNO.C11H23NO2.C11H17NO.C10H20FNO.2C10H19NO2.2C10H21NO.2C10H21N.C9H20N2.C9H17N.C9H18O2.C9H18O.C8H15F2N.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-7-10-6-4-5-8-12-10;1-9(2,3)13-6-5-12-7-10(4,11)8-12;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h5-9H2,1-4H3;10H,5-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;10-;;;;;;;;;;;;;;;;;;/m.0................../s1
InChIKeyHGOCFVPVDUBMRE-MHXOIQCUSA-N
MW3224.08 g/mol
LogP35.49
Rot. Bonds27
About 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine (PubChem CID 163611791) has the molecular formula C182H361F4N21O17S and a molecular weight of 3224.08 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine.
Molecular Properties
| Compound Name | 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine |
|---|---|
| PubChem CID | 163611791 |
| Molecular Formula | C182H361F4N21O17S |
| Molecular Weight | 3224.08 g/mol |
| Exact Mass | 3221.77 |
| IUPAC Name | 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine |
| SMILES | CC(C)(C)C1CCOCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)OCCc1ccccn1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CC1(F)CN(CCOC(C)(C)C)C1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cnc(C(C)(C)C)c1 |
| InChI | InChI=1S/C11H22FNO.C11H23NO2.C11H17NO.C10H20FNO.2C10H19NO2.2C10H21NO.2C10H21N.C9H20N2.C9H17N.C9H18O2.C9H18O.C8H15F2N.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-7-10-6-4-5-8-12-10;1-9(2,3)13-6-5-12-7-10(4,11)8-12;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h5-9H2,1-4H3;10H,5-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;10-;;;;;;;;;;;;;;;;;;/m.0................../s1 |
| InChIKey | HGOCFVPVDUBMRE-MHXOIQCUSA-N |
| XLogP | 35.49 |
| TPSA | 319.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 225 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3224.08 |
| LogP ≤ 5 | 35.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 34 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine (CID 163611791) is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine is CC(C)(C)C1CCOCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC(=O)N1CCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCC1=O.CC(C)(C)OCCc1ccccn1.CC(C)(C)S(N)(=O)=O.CC(C)(C)n1ccnc1.CC1(F)CCN(CCOC(C)(C)C)C1.CC1(F)CN(CCOC(C)(C)C)C1.CN(C)C1CN(C(C)(C)C)C1.CN(C)CC#CC(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CO[C@H]1CCN(CCOC(C)(C)C)C1.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
The InChIKey is HGOCFVPVDUBMRE-MHXOIQCUSA-N. The full InChI is InChI=1S/C11H22FNO.C11H23NO2.C11H17NO.C10H20FNO.2C10H19NO2.2C10H21NO.2C10H21N.C9H20N2.C9H17N.C9H18O2.C9H18O.C8H15F2N.C8H14N2.C8H15NO.C8H17N.C7H12N2.C4H11NO2S/c1-10(2,3)14-8-7-13-6-5-11(4,12)9-13;1-11(2,3)14-8-7-12-6-5-10(9-12)13-4;1-11(2,3)13-9-7-10-6-4-5-8-12-10;1-9(2,3)13-6-5-12-7-10(4,11)8-12;1-10(2,3)13-8-7-11-6-4-5-9(11)12;1-10(2,3)13-8-9(12)11-6-4-5-7-11;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)7-6-8-10(4)5;1-9(2,3)11-8-4-6-10-7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-4(2,3)8(5,6)7/h5-9H2,1-4H3;10H,5-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;8H,6-7H2,1-5H3;8H2,1-5H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;1-3H3,(H2,5,6,7)/t;10-;;;;;;;;;;;;;;;;;;/m.0................../s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine?
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine has a molecular weight of 3224.08 g/mol, XLogP of 35.49, 27 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-(3,3-dimethylbutyl)pyrrolidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine;3-fluoro-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(3S)-3-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;2-methylpropane-2-sulfonamide;2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-1-ylethanone;N,N,4,4-tetramethylpent-2-yn-1-amine is sourced from PubChem (CID 163611791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 163611791 — identifiers, structure, computed properties (public domain)
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