5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C178H359N23O — CID 167626022

About 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 167626022) has the molecular formula C178H359N23O and a molecular weight of 2837.99 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 167626022
• Molecular Formula: C178H359N23O
• Molecular Weight: 2837.99 g/mol
• Exact Mass: 2835.87
• IUPAC Name: 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CN(C(C)(C)C)C2)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)N1CC(CN2CC3CN(C(C)(C)C)CC3C2)C1.CC(C)(C)N1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1
• InChI: InChI=1S/C18H35N3.C18H36N2.2C17H34N2.C16H33N3.C16H32N2.C16H34N2.C16H33N.2C15H30N2.C14H28N2O/c1-17(2,3)20-8-14(9-20)7-19-10-15-12-21(18(4,5)6)13-16(15)11-19;1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)17(7)8-10-18(11-9-17)14-12-19(13-14)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-14(2,3)11-16-7-12-9-17(15(4,5)6)10-13(12)8-16;1-14(2,3)13-10-16(11-13)7-12-8-17(9-12)15(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12(17)14(4,5)6/h14-16H,7-13H2,1-6H3;15-16H,7-14H2,1-6H3;7-14H2,1-6H3;14H,8-13H2,1-7H3;14H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3;7-11H2,1-6H3
• InChIKey: NCNMPNJOUICXKD-UHFFFAOYSA-N
• XLogP: 34.93
• TPSA: 91.59 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.99
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 167626022) is 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CN(C(C)(C)C)C2)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)N1CC(CN2CC3CN(C(C)(C)C)CC3C2)C1.CC(C)(C)N1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.

What is the InChIKey of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is NCNMPNJOUICXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3.C18H36N2.2C17H34N2.C16H33N3.C16H32N2.C16H34N2.C16H33N.2C15H30N2.C14H28N2O/c1-17(2,3)20-8-14(9-20)7-19-10-15-12-21(18(4,5)6)13-16(15)11-19;1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)17(7)8-10-18(11-9-17)14-12-19(13-14)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-14(2,3)11-16-7-12-9-17(15(4,5)6)10-13(12)8-16;1-14(2,3)13-10-16(11-13)7-12-8-17(9-12)15(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12(17)14(4,5)6/h14-16H,7-13H2,1-6H3;15-16H,7-14H2,1-6H3;7-14H2,1-6H3;14H,8-13H2,1-7H3;14H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3;7-11H2,1-6H3.

What are the key properties of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?

5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2837.99 g/mol, XLogP of 34.93, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 167626022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).