(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane

C160H321N19 — CID 167668254

About (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane

(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane (PubChem CID 167668254) has the molecular formula C160H321N19 and a molecular weight of 2511.46 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

• Compound Name: (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane
• PubChem CID: 167668254
• Molecular Formula: C160H321N19
• Molecular Weight: 2511.46 g/mol
• Exact Mass: 2509.57
• IUPAC Name: (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane
• SMILES: CC(C)(C)C1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(C[C@@H]2CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CN(C[C@H]2CCN(C(C)(C)C)C2)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)N1CCCC1CN1CCC(C(C)(C)C)CC1
• InChI: InChI=1S/C19H38N2.C18H35N3.C17H34N2.4C16H32N2.C15H31N.C14H29N.C13H26N2/c1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-17(2,3)20-9-7-19(8-10-20)11-14-15-12-21(13-16(14)15)18(4,5)6;1-14(2)19-10-6-7-16(19)13-18-11-8-15(9-12-18)17(3,4)5;1-15(2,3)13-11-17(12-13)14-7-9-18(10-8-14)16(4,5)6;2*1-15(2,3)14-11-17(12-14)9-13-7-8-18(10-13)16(4,5)6;1-14(2,3)8-7-9-17-10-16(11-17)12-18(13-16)15(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h16-17H,7-15H2,1-6H3;14-16H,7-13H2,1-6H3;14-16H,6-13H2,1-5H3;3*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3/t16-;14?,15-,16+;;;2*13-;;;;/m0...10..../s1
• InChIKey: SYIPGHPKHIEMKM-UGCQOBISSA-N
• XLogP: 33.19
• TPSA: 61.56 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2511.46
LogP ≤ 5	33.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?

The IUPAC name of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane (CID 167668254) is (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane.

What is the SMILES notation for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?

The canonical SMILES for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane is CC(C)(C)C1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(C[C@@H]2CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CN(C[C@H]2CCN(C(C)(C)C)C2)C1.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)N1CCCC1CN1CCC(C(C)(C)C)CC1.

What is the InChIKey of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?

The InChIKey is SYIPGHPKHIEMKM-UGCQOBISSA-N. The full InChI is InChI=1S/C19H38N2.C18H35N3.C17H34N2.4C16H32N2.C15H31N.C14H29N.C13H26N2/c1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;1-17(2,3)20-9-7-19(8-10-20)11-14-15-12-21(13-16(14)15)18(4,5)6;1-14(2)19-10-6-7-16(19)13-18-11-8-15(9-12-18)17(3,4)5;1-15(2,3)13-11-17(12-13)14-7-9-18(10-8-14)16(4,5)6;2*1-15(2,3)14-11-17(12-14)9-13-7-8-18(10-13)16(4,5)6;1-14(2,3)8-7-9-17-10-16(11-17)12-18(13-16)15(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h16-17H,7-15H2,1-6H3;14-16H,7-13H2,1-6H3;14-16H,6-13H2,1-5H3;3*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3/t16-;14?,15-,16+;;;2*13-;;;;/m0...10..../s1.

What are the key properties of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?

(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 2511.46 g/mol, XLogP of 33.19, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 167668254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).