C158H334F4N22O10 — CID 161263584
N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,4-dimethyl-1-propan-2-ylpyrrolidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;methane;3-methoxy-3-methyl-1-propan-2-ylazetidine;3-(methoxymethyl)-4-propan-2-ylmorpholine;4-(methoxymethyl)-1-propan-2-ylpiperidine;3-methylidene-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylazepan-4-ol;3-methyl-1-propan-2-ylazetidin-3-ol;3-methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylazetidin-3-yl)methanol;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)piperazine (PubChem CID 161263584) has the molecular formula C158H334F4N22O10 and a molecular weight of 2778.55 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,4-dimethyl-1-propan-2-ylpyrrolidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;methane;3-methoxy-3-methyl-1-propan-2-ylazetidine;3-(methoxymethyl)-4-propan-2-ylmorpholine;4-(methoxymethyl)-1-propan-2-ylpiperidine;3-methylidene-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylazepan-4-ol;3-methyl-1-propan-2-ylazetidin-3-ol;3-methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylazetidin-3-yl)methanol;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)piperazine.
| Compound Name | N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,4-dimethyl-1-propan-2-ylpyrrolidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;methane;3-methoxy-3-methyl-1-propan-2-ylazetidine;3-(methoxymethyl)-4-propan-2-ylmorpholine;4-(methoxymethyl)-1-propan-2-ylpiperidine;3-methylidene-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylazepan-4-ol;3-methyl-1-propan-2-ylazetidin-3-ol;3-methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylazetidin-3-yl)methanol;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)piperazine |
|---|---|
| PubChem CID | 161263584 |
| Molecular Formula | C158H334F4N22O10 |
| Molecular Weight | 2778.55 g/mol |
| Exact Mass | 2776.62 |
| IUPAC Name | N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,4-dimethyl-1-propan-2-ylpyrrolidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;methane;3-methoxy-3-methyl-1-propan-2-ylazetidine;3-(methoxymethyl)-4-propan-2-ylmorpholine;4-(methoxymethyl)-1-propan-2-ylpiperidine;3-methylidene-1-propan-2-ylpiperazine;4-methyl-1-propan-2-ylazepan-4-ol;3-methyl-1-propan-2-ylazetidin-3-ol;3-methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylazetidin-3-yl)methanol;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)piperazine |
| SMILES | C.C.C=C1CN(C(C)C)CCN1.CC(C)N1CC(C)(O)C1.CC(C)N1CC(CO)C1.CC(C)N1CC(N(C)C)C1.CC(C)N1CC2(CCOC2)C1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCC(C)(O)CC1.CC(C)N1CCCC1(C)C.CC(C)N1CCNC(C(F)(F)F)C1.CC(C)N1CCOCC1C.CC1CN(C(C)C)CC1C.CCC1CCCN1C(C)C.CCC1CCN(C(C)C)CC1.COC1(C)CN(C(C)C)C1.COCC1CCN(C(C)C)CC1.COCC1COCCN1C(C)C |
| InChI | InChI=1S/2C10H21NO.C10H21N.C9H18FN.C9H20N2.C9H19NO2.C9H17NO.C9H19NO.3C9H19N.C8H15F3N2.C8H18N2.C8H16N2.2C8H17NO.2C7H15NO.2CH4/c1-9(2)11-6-4-10(5-7-11)8-12-3;1-9(2)11-7-4-5-10(3,12)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-6-4-5-9(3,10)7-11;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-4-5-12-7-9(10)6-11-3;1-8(2)10-5-9(6-10)3-4-11-7-9;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)10-5-8(3)9(4)6-10;1-8(2)10-7-5-6-9(10,3)4;1-4-9-6-5-7-10(9)8(2)3;1-6(2)13-4-3-12-7(5-13)8(9,10)11;1-7(2)10-5-8(6-10)9(3)4;1-7(2)10-5-4-9-8(3)6-10;1-7(2)9-5-8(3,6-9)10-4;1-7(2)9-4-5-10-6-8(9)3;1-6(2)8-4-7(3,9)5-8;1-6(2)8-3-7(4-8)5-9;;/h9-10H,4-8H2,1-3H3;9,12H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8,11H,4-7H2,1-3H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7,12H,3-5H2,1-2H3;7-8H,5-6H2,1-4H3;7,9H,3-6H2,1-2H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;6,9H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;2*1H4 |
| InChIKey | VCWNIYILCAHAIL-UHFFFAOYSA-N |
| XLogP | 25.74 |
| TPSA | 225.16 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2778.55 |
| LogP ≤ 5 | 25.74 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 32 |