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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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

C163H330N20 — CID 167562586

About 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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

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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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 (PubChem CID 167562586) has the molecular formula C163H330N20 and a molecular weight of 2570.57 g/mol. Its IUPAC name is 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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.

Molecular Properties

• Compound Name: 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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
• PubChem CID: 167562586
• Molecular Formula: C163H330N20
• Molecular Weight: 2570.57 g/mol
• Exact Mass: 2568.64
• IUPAC Name: 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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
• 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(C2CCN(C(C)(C)C)CC2)C1.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)N1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1
• InChI: InChI=1S/2C18H36N2.C17H34N2.C16H33N3.2C16H32N2.C16H34N2.C16H33N.2C15H30N2/c1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-17(2,3)19-11-7-15(8-12-19)16-9-13-20(14-10-16)18(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)13-11-17(12-13)14-7-9-18(10-8-14)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/h2*15-16H,7-14H2,1-6H3;14H,8-13H2,1-7H3;14H,7-13H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3
• InChIKey: DVVSQLZQYJJZIM-UHFFFAOYSA-N
• XLogP: 33.80
• TPSA: 64.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.57
LogP ≤ 5	33.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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?

The IUPAC name of 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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 (CID 167562586) is 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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.

What is the SMILES notation for 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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?

The canonical SMILES for 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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 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(C2CCN(C(C)(C)C)CC2)C1.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)N1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.

What is the InChIKey of 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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?

The InChIKey is DVVSQLZQYJJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H36N2.C17H34N2.C16H33N3.2C16H32N2.C16H34N2.C16H33N.2C15H30N2/c1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-17(2,3)19-11-7-15(8-12-19)16-9-13-20(14-10-16)18(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)13-11-17(12-13)14-7-9-18(10-8-14)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/h2*15-16H,7-14H2,1-6H3;14H,8-13H2,1-7H3;14H,7-13H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3.

What are the key properties of 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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?

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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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 has a molecular weight of 2570.57 g/mol, XLogP of 33.80, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(1-tert-butylpiperidin-4-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 is sourced from PubChem (CID 167562586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).