C128H273N15O2 — CID 158894294
6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen (PubChem CID 158894294) has the molecular formula C128H273N15O2 and a molecular weight of 2054.69 g/mol. Its IUPAC name is 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen.
| Compound Name | 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen |
|---|---|
| PubChem CID | 158894294 |
| Molecular Formula | C128H273N15O2 |
| Molecular Weight | 2054.69 g/mol |
| Exact Mass | 2053.17 |
| IUPAC Name | 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen |
| SMILES | CC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C11H21N.C9H18N2.C9H17NO.4C9H19N.C8H18N2.C8H17NO.3C8H17N.2C8H16.C7H15N.4H2/c1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;;/h4-9H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;4*1H/t;;7-,8-;;;;;;;;;;;;;;;;/m..1................/s1 |
| InChIKey | JEQFZQPIAOVNNY-ZXZFJZIWSA-N |
| XLogP | 28.37 |
| TPSA | 128.59 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2054.69 |
| LogP ≤ 5 | 28.37 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 17 |