1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)

C128H296N16Y4-8 — CID 158682178

About 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)

1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium) (PubChem CID 158682178) has the molecular formula C128H296N16Y4-8 and a molecular weight of 2415.51 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium).

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)
• PubChem CID: 158682178
• Molecular Formula: C128H296N16Y4-8
• Molecular Weight: 2415.51 g/mol
• Exact Mass: 2413.99
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)
• SMILES: C.C.C.C.C1CC2CNCCN2C1.C1CCNC1.C1CNC1.C1NCC2CNCC12.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN2CCCC2C1.[CH2-]CCN(C[CH2-])C(C)(C)C.[CH2-]CCNC[CH2-].[CH2-]CN(C[CH2-])C(C)(C)C.[CH2-]CNC[CH2-].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C11H22N2.C10H20N2.C9H19N.2C8H17N.C7H14N2.C7H15N.C6H12N2.C5H11N.6C5H12.2C4H9N.C3H7N.6C2H6.4CH4.4Y/c1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-6-8-10(7-2)9(3,4)5;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;1-2-7-6-8-3-5-9(7)4-1;1-7(2,3)8-5-4-6-8;1-5-2-8-4-6(5)3-7-1;1-3-5-6-4-2;6*1-5(2,3)4;1-2-4-5-3-1;1-3-5-4-2;1-2-4-3-1;6*1-2;;;;;;;;/h10H,4-9H2,1-3H3;8-9,11H,4-7H2,1-3H3;1-2,6-8H2,3-5H3;4-7H2,1-3H3;1-2,6-7H2,3-5H3;7-8H,1-6H2;4-6H2,1-3H3;5-8H,1-4H2;6H,1-5H2;6*1-4H3;2*5H,1-4H2;4H,1-3H2;6*1-2H3;4*1H4;;;;/q;;-2;;-2;;;;-2;;;;;;;;-2
• InChIKey: JRSUUNSMIWORMV-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 122.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.51
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)?

The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium) (CID 158682178) is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium).

What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)?

The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium) is C.C.C.C.C1CC2CNCCN2C1.C1CCNC1.C1CNC1.C1NCC2CNCC12.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN2CCCC2C1.[CH2-]CCN(C[CH2-])C(C)(C)C.[CH2-]CCNC[CH2-].[CH2-]CN(C[CH2-])C(C)(C)C.[CH2-]CNC[CH2-].[Y].[Y].[Y].[Y].

What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)?

The InChIKey is JRSUUNSMIWORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H20N2.C9H19N.2C8H17N.C7H14N2.C7H15N.C6H12N2.C5H11N.6C5H12.2C4H9N.C3H7N.6C2H6.4CH4.4Y/c1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-6-8-10(7-2)9(3,4)5;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;1-2-7-6-8-3-5-9(7)4-1;1-7(2,3)8-5-4-6-8;1-5-2-8-4-6(5)3-7-1;1-3-5-6-4-2;6*1-5(2,3)4;1-2-4-5-3-1;1-3-5-4-2;1-2-4-3-1;6*1-2;;;;;;;;/h10H,4-9H2,1-3H3;8-9,11H,4-7H2,1-3H3;1-2,6-8H2,3-5H3;4-7H2,1-3H3;1-2,6-7H2,3-5H3;7-8H,1-6H2;4-6H2,1-3H3;5-8H,1-4H2;6H,1-5H2;6*1-4H3;2*5H,1-4H2;4H,1-3H2;6*1-2H3;4*1H4;;;;/q;;-2;;-2;;;;-2;;;;;;;;-2;;;;;;;;;;;;;;;.

What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium)?

1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium) has a molecular weight of 2415.51 g/mol, XLogP of 31.49, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;azetidine;5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butylazetidine;1-tert-butylpyrrolidine;N,N-di(ethyl)-2-methylpropan-2-amine;hexakis(2,2-dimethylpropane);ethane;N-ethylethanamine;N-ethyl-2-methyl-N-propylpropan-2-amine;N-ethylpropan-1-amine;methane;pyrrolidine;tetrakis(yttrium) is sourced from PubChem (CID 158682178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).