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

C59H93N7OS — CID 159275832

IUPAC1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
SMILESCC1=CCN(C)CC1.CC1CCC(C)CC1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccco1
InChIInChI=1S/C8H16.C8H10.C7H13N.2C7H9N.C6H14N2.C6H8S.C5H8N2.C5H6O/c3*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;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-5-3-2-4-6-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3
InChIKeyKYHJNKBSGKSGLV-UHFFFAOYSA-N
MW948.51 g/mol
LogP14.64
Rot. Bonds

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

1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene (PubChem CID 159275832) has the molecular formula C59H93N7OS and a molecular weight of 948.51 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
PubChem CID159275832
Molecular FormulaC59H93N7OS
Molecular Weight948.51 g/mol
Exact Mass947.72
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
SMILESCC1=CCN(C)CC1.CC1CCC(C)CC1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccco1
InChIInChI=1S/C8H16.C8H10.C7H13N.2C7H9N.C6H14N2.C6H8S.C5H8N2.C5H6O/c3*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;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-5-3-2-4-6-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3
InChIKeyKYHJNKBSGKSGLV-UHFFFAOYSA-N
XLogP14.64
TPSA77.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.51
LogP ≤ 514.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
1-(5-methylthiophen-2-yl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride
CID 10139019
1-(5-methylthiophen-2-yl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone
CID 10139020
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
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
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
CID 157210482
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
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-(4-Ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene
CID 157476410
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
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(2,5-dimethylfuran);1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);1,4-xylene
CID 157839459

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene (CID 159275832) is 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene is CC1=CCN(C)CC1.CC1CCC(C)CC1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccco1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene?
The InChIKey is KYHJNKBSGKSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H10.C7H13N.2C7H9N.C6H14N2.C6H8S.C5H8N2.C5H6O/c3*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;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-5-3-2-4-6-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene?
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene has a molecular weight of 948.51 g/mol, XLogP of 14.64, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene is sourced from PubChem (CID 159275832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).