1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)

C217H428N30 — CID 164960408

About 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)

1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane) (PubChem CID 164960408) has the molecular formula C217H428N30 and a molecular weight of 3458.02 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane).

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)
• PubChem CID: 164960408
• Molecular Formula: C217H428N30
• Molecular Weight: 3458.02 g/mol
• Exact Mass: 3455.44
• IUPAC Name: 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)
• SMILES: CC(C)C1CC2C1CCN2C(C)C.CC(C)C1CC2C1CCN2C(C)C.CC(C)C1CC2CN(C(C)C)CC21.CC(C)C1CC2CN(C(C)C)CC21.CC(C)C1CC2CN(C(C)C)CCC21.CC(C)C1CC2CN(C(C)C)CCC21.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)C2C1.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2C1CCN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2CCN(C(C)C)C2C1.CC(C)N1CCC2CCN(C(C)C)C2C1.CC(C)N1CCC2CN(C(C)C)CC2C1
• InChI: InChI=1S/3C13H26N2.2C13H25N.5C12H24N2.4C12H23N.4C11H22N2/c2*1-10(2)14-7-5-12-6-8-15(11(3)4)13(12)9-14;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;2*1-9(2)13-7-11-8-14(10(3)4)6-5-12(11)13;1-9(2)13-7-5-12-11(13)6-8-14(12)10(3)4;2*1-9(2)13-6-5-12-11(7-13)8-14(12)10(3)4;2*1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13;2*1-8(2)11-5-10-6-13(9(3)4)7-12(10)11;2*1-8(2)11-7-12-10(11)5-6-13(12)9(3)4;2*1-8(2)12-5-10-6-13(9(3)4)11(10)7-12;2*1-8(2)12-6-5-10-11(12)7-13(10)9(3)4/h3*10-13H,5-9H2,1-4H3;2*9-13H,5-8H2,1-4H3;5*9-12H,5-8H2,1-4H3;4*8-12H,5-7H2,1-4H3;4*8-11H,5-7H2,1-4H3
• InChIKey: BTKFDVYDYKNYFZ-UHFFFAOYSA-N
• XLogP: 38.38
• TPSA: 97.20 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3458.02
LogP ≤ 5	38.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)?

The IUPAC name of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane) (CID 164960408) is 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane).

What is the SMILES notation for 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)?

The canonical SMILES for 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane) is CC(C)C1CC2C1CCN2C(C)C.CC(C)C1CC2C1CCN2C(C)C.CC(C)C1CC2CN(C(C)C)CC21.CC(C)C1CC2CN(C(C)C)CC21.CC(C)C1CC2CN(C(C)C)CCC21.CC(C)C1CC2CN(C(C)C)CCC21.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CCN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)C2C1.CC(C)N1CC2CN(C(C)C)C2C1.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2C1CCN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2CCN(C(C)C)C2C1.CC(C)N1CCC2CCN(C(C)C)C2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.

What is the InChIKey of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)?

The InChIKey is BTKFDVYDYKNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H26N2.2C13H25N.5C12H24N2.4C12H23N.4C11H22N2/c2*1-10(2)14-7-5-12-6-8-15(11(3)4)13(12)9-14;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;2*1-9(2)13-7-11-8-14(10(3)4)6-5-12(11)13;1-9(2)13-7-5-12-11(13)6-8-14(12)10(3)4;2*1-9(2)13-6-5-12-11(7-13)8-14(12)10(3)4;2*1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13;2*1-8(2)11-5-10-6-13(9(3)4)7-12(10)11;2*1-8(2)11-7-12-10(11)5-6-13(12)9(3)4;2*1-8(2)12-5-10-6-13(9(3)4)11(10)7-12;2*1-8(2)12-6-5-10-11(12)7-13(10)9(3)4/h3*10-13H,5-9H2,1-4H3;2*9-13H,5-8H2,1-4H3;5*9-12H,5-8H2,1-4H3;4*8-12H,5-7H2,1-4H3;4*8-11H,5-7H2,1-4H3.

What are the key properties of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane)?

1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane) has a molecular weight of 3458.02 g/mol, XLogP of 38.38, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(1,6-di(propan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine);2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(2,6-di(propan-2-yl)-2-azabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3-azabicyclo[4.2.0]octane);bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.0]heptane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane);bis(3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane) is sourced from PubChem (CID 164960408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).