1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)

C120H240N20 — CID 167627739

About 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)

1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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) (PubChem CID 167627739) has the molecular formula C120H240N20 and a molecular weight of 1963.38 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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).

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)
• PubChem CID: 167627739
• Molecular Formula: C120H240N20
• Molecular Weight: 1963.38 g/mol
• Exact Mass: 1961.94
• IUPAC Name: 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)
• SMILES: 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)N1CCC2C1CCN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCC2CN(C(C)C)CCC2C1
• InChI: InChI=1S/C14H28N2.2C13H26N2.3C12H24N2.4C11H22N2/c1-11(2)15-7-5-14-10-16(12(3)4)8-6-13(14)9-15;2*1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-9(2)13-7-5-12-11(13)6-8-14(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)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/h11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;3*9-12H,5-8H2,1-4H3;4*8-11H,5-7H2,1-4H3
• InChIKey: NIQSIDKOAOYECM-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 64.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.38
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)?

The IUPAC name of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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) (CID 167627739) is 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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).

What is the SMILES notation for 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)?

The canonical SMILES for 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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) is 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)N1CCC2C1CCN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2C1CN2C(C)C.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCC2CN(C(C)C)CCC2C1.

What is the InChIKey of 1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)?

The InChIKey is NIQSIDKOAOYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2C13H26N2.3C12H24N2.4C11H22N2/c1-11(2)15-7-5-14-10-16(12(3)4)8-6-13(14)9-15;2*1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-9(2)13-7-5-12-11(13)6-8-14(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)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/h11-14H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;3*9-12H,5-8H2,1-4H3;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(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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)?

1,4-di(propan-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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) has a molecular weight of 1963.38 g/mol, XLogP of 18.09, 20 rotatable bonds, 0 hydrogen bond donors, and 20 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(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);2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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) is sourced from PubChem (CID 167627739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).