(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane

C177H352N22 — CID 161258509

About (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane

(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane (PubChem CID 161258509) has the molecular formula C177H352N22 and a molecular weight of 2788.92 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane
• PubChem CID: 161258509
• Molecular Formula: C177H352N22
• Molecular Weight: 2788.92 g/mol
• Exact Mass: 2786.82
• IUPAC Name: (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane
• SMILES: CC(C)(C)C1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.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)CC1CCN(C(C)(C)C)CC1.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)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1
• InChI: InChI=1S/C19H36N2.C19H38N2.2C18H35N3.C17H34N2.3C16H32N2.C14H29N.C13H26N2.C11H23N/c1-18(2,3)14-7-9-20(10-8-14)11-15-16-12-21(13-17(15)16)19(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;2*1-17(2,3)20-9-7-19(8-10-20)11-14-15-12-21(13-16(14)15)18(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)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)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;1-13(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;1-10(2,3)9-7-12(8-9)11(4,5)6/h14-17H,7-13H2,1-6H3;16-17H,7-15H2,1-6H3;2*14-16H,7-13H2,1-6H3;7-14H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3/t15?,16-,17+;16-;2*14?,15-,16+;;;13-;;;;/m.1....0..../s1
• InChIKey: VCGAXPDSXKXKBI-DLRORCIKSA-N
• XLogP: 34.93
• TPSA: 71.28 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2788.92
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane?

The IUPAC name of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane (CID 161258509) is (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane.

What is the SMILES notation for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane?

The canonical SMILES for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane is CC(C)(C)C1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)(C)C1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.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)CC1CCN(C(C)(C)C)CC1.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)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.CC(C)(C)N1CCN(CC2[C@H]3CN(C(C)(C)C)C[C@@H]23)CC1.

What is the InChIKey of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane?

The InChIKey is VCGAXPDSXKXKBI-DLRORCIKSA-N. The full InChI is InChI=1S/C19H36N2.C19H38N2.2C18H35N3.C17H34N2.3C16H32N2.C14H29N.C13H26N2.C11H23N/c1-18(2,3)14-7-9-20(10-8-14)11-15-16-12-21(13-17(15)16)19(4,5)6;1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(4,5)6;2*1-17(2,3)20-9-7-19(8-10-20)11-14-15-12-21(13-16(14)15)18(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)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)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;1-13(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;1-10(2,3)9-7-12(8-9)11(4,5)6/h14-17H,7-13H2,1-6H3;16-17H,7-15H2,1-6H3;2*14-16H,7-13H2,1-6H3;7-14H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3/t15?,16-,17+;16-;2*14?,15-,16+;;;13-;;;;/m.1....0..../s1.

What are the key properties of (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane?

(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 2788.92 g/mol, XLogP of 34.93, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;bis((1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane);(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 161258509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).