1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine

C169H337N19 — CID 167608334

About 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine

1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine (PubChem CID 167608334) has the molecular formula C169H337N19 and a molecular weight of 2635.69 g/mol. Its IUPAC name is 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
• PubChem CID: 167608334
• Molecular Formula: C169H337N19
• Molecular Weight: 2635.69 g/mol
• Exact Mass: 2633.70
• IUPAC Name: 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
• SMILES: CC(C)(C)C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)CC1CN(C(C)(C)C)C1.CC(C)(C)CN1CC(N2CCC(C(C)(C)C)CC2)C1.CC(C)(C)CN1CC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)N1CCC2CCN(CC(C)(C)C)CC2C1.CC(C)N1CCC2CN(CC(C)(C)C)CCC2C1
• InChI: InChI=1S/C19H37N.C17H34N2.3C16H32N2.2C15H30N2.C15H28N2.C14H28N2.C14H29N.C12H25N/c1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)13-18-11-15(12-18)19-9-7-14(8-10-19)17(4,5)6;1-14(2,3)10-17-11-16(12-17)8-7-9-18(13-16)15(4,5)6;1-13(2)18-9-7-14-10-17(12-16(3,4)5)8-6-15(14)11-18;1-13(2)18-9-7-14-6-8-17(10-15(14)11-18)12-16(3,4)5;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;1-12(2)16-8-6-13-7-9-17(15(3,4)5)11-14(13)10-16;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-12(2)15-8-6-14(7-9-15)10-16(11-14)13(3,4)5;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-11(2,3)7-10-8-13(9-10)12(4,5)6/h15-16H,8-14H2,1-7H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;2*13-15H,6-12H2,1-5H3;7-12H2,1-6H3;12-14H,6-11H2,1-5H3;9-13H2,1-6H3;12H,6-11H2,1-5H3;12H,7-11H2,1-6H3;10H,7-9H2,1-6H3
• InChIKey: KRNWWCSYRUUYAS-UHFFFAOYSA-N
• XLogP: 36.03
• TPSA: 61.56 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.69
LogP ≤ 5	36.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine?

The IUPAC name of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine (CID 167608334) is 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine.

What is the SMILES notation for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine?

The canonical SMILES for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine is CC(C)(C)C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)CC1CN(C(C)(C)C)C1.CC(C)(C)CN1CC(N2CCC(C(C)(C)C)CC2)C1.CC(C)(C)CN1CC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)N1CCC2CCN(CC(C)(C)C)CC2C1.CC(C)N1CCC2CN(CC(C)(C)C)CCC2C1.

What is the InChIKey of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine?

The InChIKey is KRNWWCSYRUUYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N.C17H34N2.3C16H32N2.2C15H30N2.C15H28N2.C14H28N2.C14H29N.C12H25N/c1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)13-18-11-15(12-18)19-9-7-14(8-10-19)17(4,5)6;1-14(2,3)10-17-11-16(12-17)8-7-9-18(13-16)15(4,5)6;1-13(2)18-9-7-14-10-17(12-16(3,4)5)8-6-15(14)11-18;1-13(2)18-9-7-14-6-8-17(10-15(14)11-18)12-16(3,4)5;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;1-12(2)16-8-6-13-7-9-17(15(3,4)5)11-14(13)10-16;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-12(2)15-8-6-14(7-9-15)10-16(11-14)13(3,4)5;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-11(2,3)7-10-8-13(9-10)12(4,5)6/h15-16H,8-14H2,1-7H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;2*13-15H,6-12H2,1-5H3;7-12H2,1-6H3;12-14H,6-11H2,1-5H3;9-13H2,1-6H3;12H,6-11H2,1-5H3;12H,7-11H2,1-6H3;10H,7-9H2,1-6H3.

What are the key properties of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine?

1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine has a molecular weight of 2635.69 g/mol, XLogP of 36.03, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2-tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2-(2,2-dimethylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2,2-dimethylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine is sourced from PubChem (CID 167608334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).