2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene

C81H156N6O5S — CID 157281986

IUPAC2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
SMILESC.C.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CC1CCOCC1.CCC.CCC1CC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.COC.Cc1ccccc1.Cc1ccccn1.Cc1ccco1.Cc1ccoc1.Cc1nccs1
InChIInChI=1S/C7H14.C7H8.C6H13N.C6H7N.C6H12O.C5H12N2.C5H11NO.2C5H6O.C5H10.C5H12.C4H5NS.C4H8.C4H10.C3H8.C2H6O.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-5-3-4-5;1-5(2,3)4;1-4-5-2-3-6-4;1-4-2-3-4;1-4(2)3;2*1-3-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-6H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;2-5H2,1H3;2*2-4H,1H3;5H,2-4H2,1H3;1-4H3;2-3H,1H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;1-2H3;2*1H4
InChIKeyAZTRRSCAZLKQLM-UHFFFAOYSA-N
MW1326.24 g/mol
LogP22.49
Rot. Bonds1

About 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene

2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene (PubChem CID 157281986) has the molecular formula C81H156N6O5S and a molecular weight of 1326.24 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene.

Molecular Properties

Compound Name2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
PubChem CID157281986
Molecular FormulaC81H156N6O5S
Molecular Weight1326.24 g/mol
Exact Mass1325.19
IUPAC Name2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
SMILESC.C.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CC1CCOCC1.CCC.CCC1CC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.COC.Cc1ccccc1.Cc1ccccn1.Cc1ccco1.Cc1ccoc1.Cc1nccs1
InChIInChI=1S/C7H14.C7H8.C6H13N.C6H7N.C6H12O.C5H12N2.C5H11NO.2C5H6O.C5H10.C5H12.C4H5NS.C4H8.C4H10.C3H8.C2H6O.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-5-3-4-5;1-5(2,3)4;1-4-5-2-3-6-4;1-4-2-3-4;1-4(2)3;2*1-3-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-6H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;2-5H2,1H3;2*2-4H,1H3;5H,2-4H2,1H3;1-4H3;2-3H,1H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;1-2H3;2*1H4
InChIKeyAZTRRSCAZLKQLM-UHFFFAOYSA-N
XLogP22.49
TPSA101.50 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.24
LogP ≤ 522.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene 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

but-2-yne;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 157127796
2,2-Dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene
CID 157362121
4,5-dihydro-1,3-oxazole;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;toluene
CID 157573776
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 157814036
2,2-Dimethylpropane;ethylcyclopropane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
CID 157958045
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylcyclopenta-1,3-diene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;toluene
CID 157973021
ethane;ethylbenzene;methane;1-methylcyclopenta-1,3-diene;2-methylfuran;3-methylpyridine;4-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;toluene
CID 158041289
bis(1,2-dimethyl-4,5-dihydroimidazole);N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-4,5-dihydro-1,3-thiazole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 158343893
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 158605471
Ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 158987925
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;2-methylcyclopenta-1,3-diene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;toluene
CID 159460224
but-2-yne;4,5-dihydro-1,3-oxazole;1,2-dimethyl-4,5-dihydroimidazole;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;propan-2-imine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 160447787

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene?
The IUPAC name of 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene (CID 157281986) is 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene.
What is the SMILES notation for 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene?
The canonical SMILES for 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene is C.C.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CC1CCOCC1.CCC.CCC1CC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.COC.Cc1ccccc1.Cc1ccccn1.Cc1ccco1.Cc1ccoc1.Cc1nccs1.
What is the InChIKey of 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene?
The InChIKey is AZTRRSCAZLKQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H8.C6H13N.C6H7N.C6H12O.C5H12N2.C5H11NO.2C5H6O.C5H10.C5H12.C4H5NS.C4H8.C4H10.C3H8.C2H6O.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-5-3-4-5;1-5(2,3)4;1-4-5-2-3-6-4;1-4-2-3-4;1-4(2)3;2*1-3-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-6H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;2-5H2,1H3;2*2-4H,1H3;5H,2-4H2,1H3;1-4H3;2-3H,1H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene?
2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene has a molecular weight of 1326.24 g/mol, XLogP of 22.49, 1 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene is sourced from PubChem (CID 157281986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).