N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene

C264H458F2N16O6S18 — CID 158000391

IUPACN,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CF.CF.CN(C)C.CNC(C)=O.CNC(C)=O.CO.COC.CS(C)(=O)=O.Cc1ccc2[nH]ncc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1ccc2ccccc21.Cn1cccn1.c1ccc2cnccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cncnc1
InChIInChI=1S/C9H9N.C9H7N.C8H8N2.4C7H8.5C5H5N.C4H6N2.C4H4N2.17C4H4S.16C4H10.2C3H7NO.C3H9N.C2H6O2S.C2H6O.11C2H6.2CH3F.CH4O.7CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-6-2-3-8-7(4-6)5-9-10-8;4*1-7-5-3-2-4-6-7;5*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;17*1-2-4-5-3-1;16*1-4(2)3;2*1-3(5)4-2;1-4(2)3;1-5(2,3)4;1-3-2;14*1-2;;;;;;;/h2-7H,1H3;1-7H;2-5H,1H3,(H,9,10);4*2-6H,1H3;5*1-5H;2-4H,1H3;1-4H;17*1-4H;16*4H,1-3H3;2*1-2H3,(H,4,5);1-3H3;1-2H3;1-2H3;11*1-2H3;2*1H3;2H,1H3;7*1H4
InChIKeyFDQWRINJXWCPCI-UHFFFAOYSA-N
MW4567.88 g/mol
LogP93.01
Rot. Bonds

About N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene

N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene (PubChem CID 158000391) has the molecular formula C264H458F2N16O6S18 and a molecular weight of 4567.88 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene
PubChem CID158000391
Molecular FormulaC264H458F2N16O6S18
Molecular Weight4567.88 g/mol
Exact Mass4563.10
IUPAC NameN,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CF.CF.CN(C)C.CNC(C)=O.CNC(C)=O.CO.COC.CS(C)(=O)=O.Cc1ccc2[nH]ncc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1ccc2ccccc21.Cn1cccn1.c1ccc2cnccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cncnc1
InChIInChI=1S/C9H9N.C9H7N.C8H8N2.4C7H8.5C5H5N.C4H6N2.C4H4N2.17C4H4S.16C4H10.2C3H7NO.C3H9N.C2H6O2S.C2H6O.11C2H6.2CH3F.CH4O.7CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-6-2-3-8-7(4-6)5-9-10-8;4*1-7-5-3-2-4-6-7;5*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;17*1-2-4-5-3-1;16*1-4(2)3;2*1-3(5)4-2;1-4(2)3;1-5(2,3)4;1-3-2;14*1-2;;;;;;;/h2-7H,1H3;1-7H;2-5H,1H3,(H,9,10);4*2-6H,1H3;5*1-5H;2-4H,1H3;1-4H;17*1-4H;16*4H,1-3H3;2*1-2H3,(H,4,5);1-3H3;1-2H3;1-2H3;11*1-2H3;2*1H3;2H,1H3;7*1H4
InChIKeyFDQWRINJXWCPCI-UHFFFAOYSA-N
XLogP93.01
TPSA279.59 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004567.88
LogP ≤ 593.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene?
The IUPAC name of N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene (CID 158000391) is N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene?
The canonical SMILES for N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CF.CF.CN(C)C.CNC(C)=O.CNC(C)=O.CO.COC.CS(C)(=O)=O.Cc1ccc2[nH]ncc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1ccc2ccccc21.Cn1cccn1.c1ccc2cnccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cncnc1.
What is the InChIKey of N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene?
The InChIKey is FDQWRINJXWCPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C9H7N.C8H8N2.4C7H8.5C5H5N.C4H6N2.C4H4N2.17C4H4S.16C4H10.2C3H7NO.C3H9N.C2H6O2S.C2H6O.11C2H6.2CH3F.CH4O.7CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-6-2-3-8-7(4-6)5-9-10-8;4*1-7-5-3-2-4-6-7;5*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;17*1-2-4-5-3-1;16*1-4(2)3;2*1-3(5)4-2;1-4(2)3;1-5(2,3)4;1-3-2;14*1-2;;;;;;;/h2-7H,1H3;1-7H;2-5H,1H3,(H,9,10);4*2-6H,1H3;5*1-5H;2-4H,1H3;1-4H;17*1-4H;16*4H,1-3H3;2*1-2H3,(H,4,5);1-3H3;1-2H3;1-2H3;11*1-2H3;2*1H3;2H,1H3;7*1H4.
What are the key properties of N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene?
N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene has a molecular weight of 4567.88 g/mol, XLogP of 93.01, 0 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;fluoromethane;isoquinoline;methane;methanol;methoxymethane;bis(N-methylacetamide);5-methyl-1H-indazole;1-methylindole;hexadecakis(2-methylpropane);1-methylpyrazole;methylsulfonylmethane;pentakis(pyridine);pyrimidine;thiophene;toluene is sourced from PubChem (CID 158000391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).