3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene

C117H194N14O2S4 — CID 159962958

About 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene

3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene (PubChem CID 159962958) has the molecular formula C117H194N14O2S4 and a molecular weight of 1957.20 g/mol. Its IUPAC name is 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene
• PubChem CID: 159962958
• Molecular Formula: C117H194N14O2S4
• Molecular Weight: 1957.20 g/mol
• Exact Mass: 1955.44
• IUPAC Name: 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene
• SMILES: CC1=CCN(C)CC1.CC1=NOC(C)C1.CC1CCC(C)CC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(C)CC2C1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)n1
• InChI: InChI=1S/C8H15N.C8H16.2C8H10.2C7H15N.C7H13N.2C7H9N.C6H14N2.C6H13N.C6H8O.2C6H8S.C5H8N2.C5H9NO.2C5H7NS/c1-8-3-4-9(2)6-7(8)5-8;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;3*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4/h7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3*3-4H,1-2H3;3H,1-2H3,(H,6,7);5H,3H2,1-2H3;2*3H,1-2H3
• InChIKey: ODOJQRDELBPOPO-UHFFFAOYSA-N
• XLogP: 29.31
• TPSA: 137.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.20
LogP ≤ 5	29.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene?

The IUPAC name of 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene (CID 159962958) is 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene?

The canonical SMILES for 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene is CC1=CCN(C)CC1.CC1=NOC(C)C1.CC1CCC(C)CC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(C)CC2C1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)n1.

What is the InChIKey of 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene?

The InChIKey is ODOJQRDELBPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H16.2C8H10.2C7H15N.C7H13N.2C7H9N.C6H14N2.C6H13N.C6H8O.2C6H8S.C5H8N2.C5H9NO.2C5H7NS/c1-8-3-4-9(2)6-7(8)5-8;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;3*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4/h7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3*3-4H,1-2H3;3H,1-2H3,(H,6,7);5H,3H2,1-2H3;2*3H,1-2H3.

What are the key properties of 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene?

3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene has a molecular weight of 1957.20 g/mol, XLogP of 29.31, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-3-azabicyclo[4.1.0]heptane;1,4-dimethylcyclohexane;3,5-dimethyl-4,5-dihydro-1,2-oxazole;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159962958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).