5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane

C140H278N16 — CID 167616530

IUPAC5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane
SMILESCC(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)CN1CC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CN(C(C)(C)C)CCC2C1.CC(C)(C)N1CC(CN2CC3CN(C(C)(C)C)CC3C2)C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C19H37N.C18H35N3.C17H34N2.C16H32N2.C15H30N2.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;1-17(2,3)20-8-14(9-20)7-19-10-15-12-21(18(4,5)6)13-16(15)11-19;1-16(2,3)13-18-9-7-15-12-19(17(4,5)6)10-8-14(15)11-18;1-14(2,3)10-17-11-16(12-17)8-7-9-18(13-16)15(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;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;14-16H,7-13H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;9-13H2,1-6H3;12H,6-11H2,1-5H3;12H,7-11H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyLVAQVMIOABIJFQ-UHFFFAOYSA-N
MW2185.88 g/mol
LogP29.40
Rot. Bonds10

About 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane

5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane (PubChem CID 167616530) has the molecular formula C140H278N16 and a molecular weight of 2185.88 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane
PubChem CID167616530
Molecular FormulaC140H278N16
Molecular Weight2185.88 g/mol
Exact Mass2184.22
IUPAC Name5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane
SMILESCC(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)CN1CC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CN(C(C)(C)C)CCC2C1.CC(C)(C)N1CC(CN2CC3CN(C(C)(C)C)CC3C2)C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C19H37N.C18H35N3.C17H34N2.C16H32N2.C15H30N2.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;1-17(2,3)20-8-14(9-20)7-19-10-15-12-21(18(4,5)6)13-16(15)11-19;1-16(2,3)13-18-9-7-15-12-19(17(4,5)6)10-8-14(15)11-18;1-14(2,3)10-17-11-16(12-17)8-7-9-18(13-16)15(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;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;14-16H,7-13H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;9-13H2,1-6H3;12H,6-11H2,1-5H3;12H,7-11H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyLVAQVMIOABIJFQ-UHFFFAOYSA-N
XLogP29.40
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.88
LogP ≤ 529.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane (CID 167616530) is 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane 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)CN1CC2(CCCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CN(C(C)(C)C)CCC2C1.CC(C)(C)N1CC(CN2CC3CN(C(C)(C)C)CC3C2)C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane?
The InChIKey is LVAQVMIOABIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N.C18H35N3.C17H34N2.C16H32N2.C15H30N2.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;1-17(2,3)20-8-14(9-20)7-19-10-15-12-21(18(4,5)6)13-16(15)11-19;1-16(2,3)13-18-9-7-15-12-19(17(4,5)6)10-8-14(15)11-18;1-14(2,3)10-17-11-16(12-17)8-7-9-18(13-16)15(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;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;14-16H,7-13H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;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 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane?
5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane has a molecular weight of 2185.88 g/mol, XLogP of 29.40, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;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-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 167616530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).