1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane

C58H116N14 — CID 159424300

About 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane

1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 159424300) has the molecular formula C58H116N14 and a molecular weight of 1009.66 g/mol. Its IUPAC name is 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

• Compound Name: 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane
• PubChem CID: 159424300
• Molecular Formula: C58H116N14
• Molecular Weight: 1009.66 g/mol
• Exact Mass: 1008.95
• IUPAC Name: 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane
• SMILES: CN1CC2CCN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)CC2C1.CN1CCC2C(CCN2C)C1.CN1CCC2C1CCN2C.CN1CCC2CN(C)CC2C1.CN1CCCC2C1CCN2C
• InChI: InChI=1S/3C9H18N2.3C8H16N2.C7H14N2/c1-10-5-4-9-8(7-10)3-6-11(9)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;1-9-3-7-5-10(2)6-8(7)4-9;1-9-5-3-8-7(9)4-6-10(8)2;1-9-5-7-3-4-10(2)8(7)6-9;1-8-3-6-4-9(2)7(6)5-8/h3*8-9H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: LQDQDEQDJXVMFS-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.66
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane (CID 159424300) is 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane.

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

The canonical SMILES for 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane is CN1CC2CCN(C)C2C1.CN1CC2CN(C)C2C1.CN1CC2CN(C)CC2C1.CN1CCC2C(CCN2C)C1.CN1CCC2C1CCN2C.CN1CCC2CN(C)CC2C1.CN1CCCC2C1CCN2C.

What is the InChIKey of 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane?

The InChIKey is LQDQDEQDJXVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H18N2.3C8H16N2.C7H14N2/c1-10-5-4-9-8(7-10)3-6-11(9)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;1-9-3-7-5-10(2)6-8(7)4-9;1-9-5-3-8-7(9)4-6-10(8)2;1-9-5-7-3-4-10(2)8(7)6-9;1-8-3-6-4-9(2)7(6)5-8/h3*8-9H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.

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

1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 1009.66 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;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;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 159424300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).