2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine

C235H459FN26O — CID 158002920

About 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine

2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine (PubChem CID 158002920) has the molecular formula C235H459FN26O and a molecular weight of 3684.44 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

• Compound Name: 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine
• PubChem CID: 158002920
• Molecular Formula: C235H459FN26O
• Molecular Weight: 3684.44 g/mol
• Exact Mass: 3681.66
• IUPAC Name: 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine
• SMILES: CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC(F)(C(C)(C)C)CC1.CC(C)(C)N1CCC(O)(C(C)(C)C)CC1.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC1CN(C(C)(C)C)C(C)CN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1C(C)(C)C
• InChI: InChI=1S/C14H28N2.2C14H30N2.C14H29N.C14H28.C14H22.C13H26FN.2C13H26N2.C13H28N2.C13H27NO.C13H27N.C13H21N.C12H26N2.3C12H20N2.C12H25N/c1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-11-9-16(14(6,7)8)12(2)10-15(11)13(3,4)5;1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;2*1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;1-11(2,3)13(15)7-9-14(10-8-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6/h11-12H,7-10H2,1-6H3;2*11-12H,9-10H2,1-8H3;8-11H2,1-7H3;11-12H,7-10H2,1-6H3;7-10H,1-6H3;2*7-10H2,1-6H3;10-11H,7-9H2,1-6H3;7-11H2,1-6H3;15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-9H,1-6H3;7-10H2,1-6H3;3*7-8H,1-6H3;10H,7-9H2,1-6H3
• InChIKey: FDYHGECVLQAPIV-UHFFFAOYSA-N
• XLogP: 56.72
• TPSA: 172.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3684.44
LogP ≤ 5	56.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine?

The IUPAC name of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine (CID 158002920) is 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine.

What is the SMILES notation for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine?

The canonical SMILES for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC(F)(C(C)(C)C)CC1.CC(C)(C)N1CCC(O)(C(C)(C)C)CC1.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC1CN(C(C)(C)C)C(C)CN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1C(C)(C)C.

What is the InChIKey of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine?

The InChIKey is FDYHGECVLQAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2C14H30N2.C14H29N.C14H28.C14H22.C13H26FN.2C13H26N2.C13H28N2.C13H27NO.C13H27N.C13H21N.C12H26N2.3C12H20N2.C12H25N/c1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-11-9-16(14(6,7)8)12(2)10-15(11)13(3,4)5;1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;2*1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;1-11(2,3)13(15)7-9-14(10-8-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6/h11-12H,7-10H2,1-6H3;2*11-12H,9-10H2,1-8H3;8-11H2,1-7H3;11-12H,7-10H2,1-6H3;7-10H,1-6H3;2*7-10H2,1-6H3;10-11H,7-9H2,1-6H3;7-11H2,1-6H3;15H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-9H,1-6H3;7-10H2,1-6H3;3*7-8H,1-6H3;10H,7-9H2,1-6H3.

What are the key properties of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine?

2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine has a molecular weight of 3684.44 g/mol, XLogP of 56.72, 0 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-ditert-butylbenzene;1,4-ditert-butylcyclohexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;1,4-ditert-butyl-4-fluoropiperidine;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,4-ditert-butylpiperidin-4-ol;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 158002920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).