5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane

C54H107N7 — CID 158557752

About 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane

5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane (PubChem CID 158557752) has the molecular formula C54H107N7 and a molecular weight of 854.50 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
• PubChem CID: 158557752
• Molecular Formula: C54H107N7
• Molecular Weight: 854.50 g/mol
• Exact Mass: 853.86
• IUPAC Name: 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
• SMILES: CC(C)(C)CN1CCCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2
• InChI: InChI=1S/C20H39N3.C18H36N2.C16H32N2/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-16(2,3)14-19-11-7-8-18(15-19)9-12-20(13-10-18)17(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6/h16-18H,7-15H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3
• InChIKey: HQMPJGHYDBDKOG-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.50
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?

The IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane (CID 158557752) is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane is CC(C)(C)CN1CCCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.

What is the InChIKey of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?

The InChIKey is HQMPJGHYDBDKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.C18H36N2.C16H32N2/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-16(2,3)14-19-11-7-8-18(15-19)9-12-20(13-10-18)17(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6/h16-18H,7-15H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3.

What are the key properties of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?

5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane has a molecular weight of 854.50 g/mol, XLogP of 10.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 158557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).