C250H464N18O10 — CID 161309956
2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;5-tert-butyl-3,6-dihydro-2H-pyran;1-tert-butylpyrazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;1-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;2-propan-2-yloxane;3-propan-2-yloxane;2-propan-2-yloxetane;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 161309956) has the molecular formula C250H464N18O10 and a molecular weight of 3882.58 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;5-tert-butyl-3,6-dihydro-2H-pyran;1-tert-butylpyrazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;1-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;2-propan-2-yloxane;3-propan-2-yloxane;2-propan-2-yloxetane;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].
| Compound Name | 2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;5-tert-butyl-3,6-dihydro-2H-pyran;1-tert-butylpyrazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;1-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;2-propan-2-yloxane;3-propan-2-yloxane;2-propan-2-yloxetane;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] |
|---|---|
| PubChem CID | 161309956 |
| Molecular Formula | C250H464N18O10 |
| Molecular Weight | 3882.58 g/mol |
| Exact Mass | 3879.64 |
| IUPAC Name | 2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;5-tert-butyl-3,6-dihydro-2H-pyran;1-tert-butylpyrazole;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;5-propan-2-yl-5-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;1-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane;2-propan-2-yloxane;3-propan-2-yloxane;2-propan-2-yloxetane;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] |
| SMILES | CC(C)(C)C1=CCCOC1.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CCCC2CC21.CC(C)(C)n1cccn1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCO1.CC(C)C1CCOC1.CC(C)C1CCc2ccccc21.CC(C)C1COC1.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC1)OCc1ccccc12.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCC2)C1.CC(C)N1CCC2(CCC2)CC1.CC(C)N1CCC2(CCO2)CC1.CC(C)N1CCC2CC21.CC(C)N1CCCC12CC2.CC(C)N1CCCC12CCC2.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCC2(COC2)C1 |
| InChI | InChI=1S/C15H21NO.C12H16.2C11H21N.2C10H19NO.7C10H19N.C10H20.2C9H17N.C9H16O.C9H18.2C8H15N.2C8H16O.C7H12N2.2C7H14O.2C6H12O/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-9(2)11-6-3-10(4-7-11)5-8-12-10;1-9(2)11-5-3-4-10(6-11)7-12-8-10;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-6-4-5-8-7-9(8)11;1-9(2)11-8-4-7-10(11)5-3-6-10;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)11-9-4-3-5-10(11)7-6-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-3-4-9(10)5-6-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2,3)9-6-4-5-8-9;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-6;1-5(2)6-3-4-7-6/h3-6,12H,7-11H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;2*10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;2*8-9H,4-7H2,1-3H3;4*9H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;5H,4,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3 |
| InChIKey | VITDHRVILIXMLV-UHFFFAOYSA-N |
| XLogP | 58.89 |
| TPSA | 161.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 278 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3882.58 |
| LogP ≤ 5 | 58.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|