C168H251N9O11 — CID 161029409
N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine (PubChem CID 161029409) has the molecular formula C168H251N9O11 and a molecular weight of 2572.91 g/mol. Its IUPAC name is N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine.
| Compound Name | N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine |
|---|---|
| PubChem CID | 161029409 |
| Molecular Formula | C168H251N9O11 |
| Molecular Weight | 2572.91 g/mol |
| Exact Mass | 2570.94 |
| IUPAC Name | N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine |
| SMILES | CC(C)(C)c1cc(CC2CCOCC2)ccn1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CN(c1cccc(C(C)(C)C)c1)C1CCOCC1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C |
| InChI | InChI=1S/2C16H25NO.C15H21NO2.3C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.2C9H13N/c1-16(2,3)13-6-5-7-15(12-13)17(4)14-8-10-18-11-9-14;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-11-13(4-7-16-14)10-12-5-8-17-9-6-12;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h5-7,12,14H,8-11H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;4-6,11H,7-10H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;2*4-7H,1-3H3 |
| InChIKey | TZKCNDCXYCXVNM-UHFFFAOYSA-N |
| XLogP | 37.90 |
| TPSA | 194.71 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2572.91 |
| LogP ≤ 5 | 37.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 19 |