(4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane

C92H183N21 — CID 159499742

About (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane

(4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane (PubChem CID 159499742) has the molecular formula C92H183N21 and a molecular weight of 1583.62 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

• Compound Name: (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane
• PubChem CID: 159499742
• Molecular Formula: C92H183N21
• Molecular Weight: 1583.62 g/mol
• Exact Mass: 1582.50
• IUPAC Name: (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane
• SMILES: CN1CC2CCN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)CC2C1.CN1CCC2C(CCN2C)C1.CN1CCC2CCN(C)C2C1.CN1CCC2CN(C)C2C1.CN1CCC2CN(C)CC2C1.CN1CCC2CN(C)CC2C1.CN1CCCC2C1CCN2C.C[C@@H]1CCC2C1CCN2C
• InChI: InChI=1S/5C9H18N2.C9H17N.3C8H16N2.2C7H14N2/c1-10-5-4-9-8(7-10)3-6-11(9)2;1-10-5-3-8-4-6-11(2)9(8)7-10;2*1-10-4-3-8-5-11(2)7-9(8)6-10;1-10-6-3-4-8-9(10)5-7-11(8)2;1-7-3-4-9-8(7)5-6-10(9)2;1-9-3-7-5-10(2)6-8(7)4-9;1-9-5-7-3-4-10(2)8(7)6-9;1-9-4-3-7-5-10(2)8(7)6-9;2*1-8-3-6-4-9(2)7(6)5-8/h5*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3/t;;;;;7-,8?,9?;;;;;/m.....1...../s1
• InChIKey: LZFQAKKPLGLTQE-KAJJFHFUSA-N
• XLogP: 5.14
• TPSA: 68.04 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane?

The IUPAC name of (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane (CID 159499742) is (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane.

What is the SMILES notation for (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane?

The canonical SMILES for (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane is CN1CC2CCN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)CC2C1.CN1CCC2C(CCN2C)C1.CN1CCC2CCN(C)C2C1.CN1CCC2CN(C)C2C1.CN1CCC2CN(C)CC2C1.CN1CCC2CN(C)CC2C1.CN1CCCC2C1CCN2C.C[C@@H]1CCC2C1CCN2C.

What is the InChIKey of (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane?

The InChIKey is LZFQAKKPLGLTQE-KAJJFHFUSA-N. The full InChI is InChI=1S/5C9H18N2.C9H17N.3C8H16N2.2C7H14N2/c1-10-5-4-9-8(7-10)3-6-11(9)2;1-10-5-3-8-4-6-11(2)9(8)7-10;2*1-10-4-3-8-5-11(2)7-9(8)6-10;1-10-6-3-4-8-9(10)5-7-11(8)2;1-7-3-4-9-8(7)5-6-10(9)2;1-9-3-7-5-10(2)6-8(7)4-9;1-9-5-7-3-4-10(2)8(7)6-9;1-9-4-3-7-5-10(2)8(7)6-9;2*1-8-3-6-4-9(2)7(6)5-8/h5*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;3*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3/t;;;;;7-,8?,9?;;;;;/m.....1...../s1.

What are the key properties of (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane?

(4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 1583.62 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane);3,8-dimethyl-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 159499742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).