C144H289N29O4S2 — CID 159078006
N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine (PubChem CID 159078006) has the molecular formula C144H289N29O4S2 and a molecular weight of 2555.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine.
| Compound Name | N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine |
|---|---|
| PubChem CID | 159078006 |
| Molecular Formula | C144H289N29O4S2 |
| Molecular Weight | 2555.23 g/mol |
| Exact Mass | 2553.27 |
| IUPAC Name | N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine |
| SMILES | CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCc2ccccn2)CC1.CC(C)N1CCN(CCc2cccs2)CC1.CC(C)N1CCOCC1.CC(C)NC1CCNC1.CC(C)NCC1CCCN1.CC(C)NCC1CCCO1.CC(C)NCCCN1CCOCC1.CC(C)NCCN1CCCC1.CC(C)NCCN1CCOCC1.CC(C)NCCN1CCSCC1.CC(C)NCCc1ccccc1.CC(C)Nc1ccc(N2CCN(C)CC2)nc1 |
| InChI | InChI=1S/C14H23N3.C13H22N4.C13H22N2S.C11H25N3.C11H17N.C10H22N2O.C9H20N2O.C9H20N2S.C9H20N2.C8H18N2.C8H17NO.C8H17N.C7H16N2.C7H15NO.C7H15N/c1-13(2)17-11-9-16(10-12-17)8-6-14-5-3-4-7-15-14;1-11(2)15-12-4-5-13(14-10-12)17-8-6-16(3)7-9-17;1-12(2)15-9-7-14(8-10-15)6-5-13-4-3-11-16-13;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-10(2)12-9-8-11-6-4-3-5-7-11;1-10(2)11-4-3-5-12-6-8-13-9-7-12;2*1-9(2)10-3-4-11-5-7-12-8-6-11;1-9(2)10-5-8-11-6-3-4-7-11;1-7(2)10-6-8-4-3-5-9-8;1-7(2)9-6-8-4-3-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)9-7-3-4-8-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h3-5,7,13H,6,8-12H2,1-2H3;4-5,10-11,15H,6-9H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;11H,5-10H2,1-4H3;3-7,10,12H,8-9H2,1-2H3;10-11H,3-9H2,1-2H3;2*9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3 |
| InChIKey | KAMLSVRZIXSLPS-UHFFFAOYSA-N |
| XLogP | 17.90 |
| TPSA | 246.87 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2555.23 |
| LogP ≤ 5 | 17.90 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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