5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C114H229N18+ — CID 159859018

About 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 159859018) has the molecular formula C114H229N18+ and a molecular weight of 1852.21 g/mol. Its IUPAC name is 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
• PubChem CID: 159859018
• Molecular Formula: C114H229N18+
• Molecular Weight: 1852.21 g/mol
• Exact Mass: 1850.85
• IUPAC Name: 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
• SMILES: CC(C)(C)N1CC(N2CCCC2)C1.CC(C)(C)N1CC2CCC(C1)C2N1CCCC1.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC([N+]2(C)CCCC2)CC1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCCC(N2CCCC2)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN2CC(CC(C)(C)C)CC2C1
• InChI: InChI=1S/C15H28N2.C14H29N2.2C14H28N2.C13H26N2.C12H24N2.C11H22N2.C11H24N2.C10H20N2/c1-15(2,3)17-10-12-6-7-13(11-17)14(12)16-8-4-5-9-16;1-14(2,3)15-9-7-13(8-10-15)16(4)11-5-6-12-16;1-14(2,3)16-11-6-7-13(8-12-16)15-9-4-5-10-15;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)8-11-7-12-10-14(4)5-6-15(12)9-11;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)12-6-8-4-11-5-9(8)7-12/h12-14H,4-11H2,1-3H3;13H,5-12H2,1-4H3;2*13H,4-12H2,1-3H3;11-12H,5-10H2,1-4H3;13H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;8-9,11H,4-7H2,1-3H3/q;+1
• InChIKey: BIXLROLKMIJOEY-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 72.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.21
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?

The IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 159859018) is 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

What is the SMILES notation for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?

The canonical SMILES for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)(C)N1CC(N2CCCC2)C1.CC(C)(C)N1CC2CCC(C1)C2N1CCCC1.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC([N+]2(C)CCCC2)CC1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCCC(N2CCCC2)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN2CC(CC(C)(C)C)CC2C1.

What is the InChIKey of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?

The InChIKey is BIXLROLKMIJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.C14H29N2.2C14H28N2.C13H26N2.C12H24N2.C11H22N2.C11H24N2.C10H20N2/c1-15(2,3)17-10-12-6-7-13(11-17)14(12)16-8-4-5-9-16;1-14(2,3)15-9-7-13(8-10-15)16(4)11-5-6-12-16;1-14(2,3)16-11-6-7-13(8-12-16)15-9-4-5-10-15;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)8-11-7-12-10-14(4)5-6-15(12)9-11;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)12-6-8-4-11-5-9(8)7-12/h12-14H,4-11H2,1-3H3;13H,5-12H2,1-4H3;2*13H,4-12H2,1-3H3;11-12H,5-10H2,1-4H3;13H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;8-9,11H,4-7H2,1-3H3/q;+1;;;;;;;.

What are the key properties of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?

5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 1852.21 g/mol, XLogP of 18.78, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-(1-tert-butylazetidin-3-yl)pyrrolidine;8-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-(1-methylpyrrolidin-1-ium-1-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane;1-tert-butyl-4-pyrrolidin-1-ylazepane;7-(2,2-dimethylpropyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 159859018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).