C183H329N25O2S2 — CID 157341419
tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;1-tert-butyl-4-ethylcyclohexane;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;3-tert-butylpiperidine;4-tert-butylpiperidine;2-(1-tert-butylpiperidin-3-yl)ethanamine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide (PubChem CID 157341419) has the molecular formula C183H329N25O2S2 and a molecular weight of 2975.95 g/mol. Its IUPAC name is tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;1-tert-butyl-4-ethylcyclohexane;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;3-tert-butylpiperidine;4-tert-butylpiperidine;2-(1-tert-butylpiperidin-3-yl)ethanamine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide.
| Compound Name | tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;1-tert-butyl-4-ethylcyclohexane;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;3-tert-butylpiperidine;4-tert-butylpiperidine;2-(1-tert-butylpiperidin-3-yl)ethanamine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide |
|---|---|
| PubChem CID | 157341419 |
| Molecular Formula | C183H329N25O2S2 |
| Molecular Weight | 2975.95 g/mol |
| Exact Mass | 2973.59 |
| IUPAC Name | tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;1-tert-butyl-4-ethylcyclohexane;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;3-tert-butylpiperidine;4-tert-butylpiperidine;2-(1-tert-butylpiperidin-3-yl)ethanamine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide |
| SMILES | CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCC(CN)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC(C2CCNCC2)CC1.CC(C)(C)N1CCCC(CCN)C1.CC(C)(C)N1CCCC(CN)C1.CC(C)(C)c1ccc(C(N)=O)s1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccnc1N.CC(C)(C)c1cnc(N)nc1N.CC(C)(C)c1csc(N)n1.CCC1CCC(C(C)(C)C)CC1.CCCc1ccc(C(C)(C)C)cc1.Cc1ccc(CN)cc1C(C)(C)C |
| InChI | InChI=1S/C14H28N2.C13H20.C12H19N.C12H16O.C12H24.C11H24N2.C11H23N.C10H22N2.C10H20.4C9H14N2.C9H13NOS.2C9H19N.C8H14N4.C7H12N2S/c1-14(2,3)16-10-6-13(7-11-16)12-4-8-15-9-5-12;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-9-5-6-10(8-13)7-11(9)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)13-8-4-5-10(9-13)6-7-12;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)12-6-4-5-9(7-11)8-12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)5-4-11-7(10)12-6(5)9;1-7(2,3)5-4-10-6(8)9-5/h12-13,15H,4-11H2,1-3H3;7-10H,5-6H2,1-4H3;5-7H,8,13H2,1-4H3;5-8H,1-4H3;10-11H,5-9H2,1-4H3;10H,4-9,12H2,1-3H3;9-10H,4-8,12H2,1-3H3;9H,4-8,11H2,1-3H3;9H,4-8H2,1-3H3;4*4-6H,1-3H3,(H2,10,11);4-5H,1-3H3,(H2,10,11);2*8,10H,4-7H2,1-3H3;4H,1-3H3,(H4,9,10,11,12);4H,1-3H3,(H2,8,9) |
| InChIKey | BGLCYGFCLBFQCN-UHFFFAOYSA-N |
| XLogP | 43.35 |
| TPSA | 482.42 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2975.95 |
| LogP ≤ 5 | 43.35 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 28 |