1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene

C67H110N8OS — CID 159299371

IUPAC1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
SMILESCC1=CCN(C)CC1.CC1=NN=C(C)C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C8H16.C8H10.C7H15N.C7H13N.2C7H9N.C6H14N2.C6H8O.C6H8S.C5H8N2/c4*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;2*1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;3H2,1-2H3
InChIKeyLBDBZADKHFDGCC-UHFFFAOYSA-N
MW1075.74 g/mol
LogP16.50
Rot. Bonds

About 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene

1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene (PubChem CID 159299371) has the molecular formula C67H110N8OS and a molecular weight of 1075.74 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
PubChem CID159299371
Molecular FormulaC67H110N8OS
Molecular Weight1075.74 g/mol
Exact Mass1074.85
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
SMILESCC1=CCN(C)CC1.CC1=NN=C(C)C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C8H16.C8H10.C7H15N.C7H13N.2C7H9N.C6H14N2.C6H8O.C6H8S.C5H8N2/c4*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;2*1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;3H2,1-2H3
InChIKeyLBDBZADKHFDGCC-UHFFFAOYSA-N
XLogP16.50
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.74
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene with MolForge

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Related Compounds

2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
2,5-Dimethylfuran;bis(1,3-dimethylnaphthalene);1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,9-dimethylphenanthrene;1,3-dimethyl-5-phenylbenzene;2,6-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylthiophene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 157170438
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
CID 157225889
2-Methyl-4,6-diphenylpyridine;4-methyl-2,6-diphenylpyridine;4-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzothiophene;4-(3-methyl-5-phenylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 157274785
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 157291123
2,5-dimethylfuran;2,6-dimethylpyrazine;2,6-dimethylpyridine;2,5-dimethyl-1H-pyrrole;2,7-dimethylquinoline;2,5-dimethylthiophene
CID 157621630
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 157772946
Cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157836986
Methylcyclohexane;methylcyclopentane;2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-5-phenylthiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;7-methylquinoline;toluene;1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 157850450

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene (CID 159299371) is 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene is CC1=CCN(C)CC1.CC1=NN=C(C)C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?
The InChIKey is LBDBZADKHFDGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H10.C7H15N.C7H13N.2C7H9N.C6H14N2.C6H8O.C6H8S.C5H8N2/c4*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;2*1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;3H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene has a molecular weight of 1075.74 g/mol, XLogP of 16.50, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-4H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene is sourced from PubChem (CID 159299371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).