(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane

C137H277N15 — CID 167594732

About (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane

(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 167594732) has the molecular formula C137H277N15 and a molecular weight of 2134.83 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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: (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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: 167594732
• Molecular Formula: C137H277N15
• Molecular Weight: 2134.83 g/mol
• Exact Mass: 2133.21
• IUPAC Name: (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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(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)CCCCC1CN(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)N1CCC2(CCCN(C(C)(C)C)C2)CC1
• InChI: InChI=1S/C19H38N2.C17H34N2.3C16H32N2.C15H31N.C14H29N.C13H26N2.C11H23N/c1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(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;1-14(2,3)10-8-7-9-13-11-16(12-13)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/h16-17H,7-15H2,1-6H3;7-14H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3/t16-;;;13-;;;;;/m0..1...../s1
• InChIKey: IXDGFVUTCOKXIE-SVJOSCDCSA-N
• XLogP: 30.78
• TPSA: 48.60 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.83
LogP ≤ 5	30.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 167594732) is (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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(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)CCCCC1CN(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)N1CCC2(CCCN(C(C)(C)C)C2)CC1.

What is the InChIKey of (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 IXDGFVUTCOKXIE-SVJOSCDCSA-N. The full InChI is InChI=1S/C19H38N2.C17H34N2.3C16H32N2.C15H31N.C14H29N.C13H26N2.C11H23N/c1-18(2,3)17-9-12-20(13-10-17)14-16-8-7-11-21(15-16)19(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;1-14(2,3)10-8-7-9-13-11-16(12-13)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/h16-17H,7-15H2,1-6H3;7-14H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3/t16-;;;13-;;;;;/m0..1...../s1.

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

(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 2134.83 g/mol, XLogP of 30.78, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(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;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 167594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).