2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
C108H175F3N18O — CID 158051580
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCC(OCCn3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCC(c3cccnc3)CC2)C1.CC(C)(C)N1CCC2(CCC(n3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1
InChIInChI=1S/C19H33N3O.C19H31N3.C18H29N3.C18H28N2.C17H25F3N4.C17H29N3/c1-18(2,3)22-11-8-19(9-12-22)6-4-17(5-7-19)23-15-14-21-13-10-20-16-21;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4;1-17(2,3)20-12-10-18(14-20)8-6-15(7-9-18)16-5-4-11-19-13-16;1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20;1-16(2,3)20-11-8-17(9-12-20)6-4-15(5-7-17)19-13-10-18-14-19/h10,13,16-17H,4-9,11-12,14-15H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3;4-5,11,13,15H,6-10,12,14H2,1-3H3;10-11H,4-9,12H2,1-3H3;10,13-15H,4-9,11-12H2,1-3H3
InChIKeyFJNYSOCJRVPGDI-UHFFFAOYSA-N
MW1798.71 g/mol
LogP22.69
Rot. Bonds9
About 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 158051580) has the molecular formula C108H175F3N18O and a molecular weight of 1798.71 g/mol. Its IUPAC name is 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.
Molecular Properties
| Compound Name | 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane |
|---|---|
| PubChem CID | 158051580 |
| Molecular Formula | C108H175F3N18O |
| Molecular Weight | 1798.71 g/mol |
| Exact Mass | 1797.41 |
| IUPAC Name | 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane |
| SMILES | CC(C)(C)N1CCC2(CCC(OCCn3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCC(c3cccnc3)CC2)C1.CC(C)(C)N1CCC2(CCC(n3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1 |
| InChI | InChI=1S/C19H33N3O.C19H31N3.C18H29N3.C18H28N2.C17H25F3N4.C17H29N3/c1-18(2,3)22-11-8-19(9-12-22)6-4-17(5-7-19)23-15-14-21-13-10-20-16-21;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4;1-17(2,3)20-12-10-18(14-20)8-6-15(7-9-18)16-5-4-11-19-13-16;1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20;1-16(2,3)20-11-8-17(9-12-20)6-4-15(5-7-17)19-13-10-18-14-19/h10,13,16-17H,4-9,11-12,14-15H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3;4-5,11,13,15H,6-10,12,14H2,1-3H3;10-11H,4-9,12H2,1-3H3;10,13-15H,4-9,11-12H2,1-3H3 |
| InChIKey | FJNYSOCJRVPGDI-UHFFFAOYSA-N |
| XLogP | 22.69 |
| TPSA | 138.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 130 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1798.71 |
| LogP ≤ 5 | 22.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (CID 158051580) is 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCC(OCCn3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCC(c3cccnc3)CC2)C1.CC(C)(C)N1CCC2(CCC(n3ccnc3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1.
What is the InChIKey of 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is FJNYSOCJRVPGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.C19H31N3.C18H29N3.C18H28N2.C17H25F3N4.C17H29N3/c1-18(2,3)22-11-8-19(9-12-22)6-4-17(5-7-19)23-15-14-21-13-10-20-16-21;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4;1-17(2,3)20-12-10-18(14-20)8-6-15(7-9-18)16-5-4-11-19-13-16;1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20;1-16(2,3)20-11-8-17(9-12-20)6-4-15(5-7-17)19-13-10-18-14-19/h10,13,16-17H,4-9,11-12,14-15H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3;4-5,11,13,15H,6-10,12,14H2,1-3H3;10-11H,4-9,12H2,1-3H3;10,13-15H,4-9,11-12H2,1-3H3.
What are the key properties of 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 1798.71 g/mol, XLogP of 22.69, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 158051580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158051580 — identifiers, structure, computed properties (public domain)
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