tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole

C129H273N15O — CID 160901032

IUPACtris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CN(C)C.CN(C)c1ccccc1.CN(C)c1ccccc1.CN(C)c1ccccc1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.Cc1cn(C)c(C)n1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.3C8H11N.C6H14N2.C6H10N2.C6H13N.C5H11NO.3C5H5N.C3H9N.2C3H8.24C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-9(2)8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-5-4-8(3)6(2)7-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3*1-2-4-6-5-3-1;1-4(2)3;2*1-3-2;24*1-2/h1-8H;3*3-7H,1-2H3;3-6H2,1-2H3;4H,1-3H3;2-6H2,1H3;2-5H2,1H3;3*1-5H;1-3H3;2*3H2,1-2H3;24*1-2H3
InChIKeySPMUSPVLDVTBTJ-UHFFFAOYSA-N
MW2050.71 g/mol
LogP40.24
Rot. Bonds4

About tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole

tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole (PubChem CID 160901032) has the molecular formula C129H273N15O and a molecular weight of 2050.71 g/mol. Its IUPAC name is tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole.

Molecular Properties

Compound Nametris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole
PubChem CID160901032
Molecular FormulaC129H273N15O
Molecular Weight2050.71 g/mol
Exact Mass2049.18
IUPAC Nametris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CN(C)C.CN(C)c1ccccc1.CN(C)c1ccccc1.CN(C)c1ccccc1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.Cc1cn(C)c(C)n1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C10H8N2.3C8H11N.C6H14N2.C6H10N2.C6H13N.C5H11NO.3C5H5N.C3H9N.2C3H8.24C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-9(2)8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-5-4-8(3)6(2)7-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3*1-2-4-6-5-3-1;1-4(2)3;2*1-3-2;24*1-2/h1-8H;3*3-7H,1-2H3;3-6H2,1-2H3;4H,1-3H3;2-6H2,1H3;2-5H2,1H3;3*1-5H;1-3H3;2*3H2,1-2H3;24*1-2H3
InChIKeySPMUSPVLDVTBTJ-UHFFFAOYSA-N
XLogP40.24
TPSA117.42 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.71
LogP ≤ 540.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole with MolForge

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Related Compounds

N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine
CID 159201121
N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine
CID 174793053
propane;2-pyridin-2-ylpyridine
CID 158168510
N,N-dimethylpyridin-4-amine;oxolane
CID 67021647
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine
CID 169122748
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756
1,4-dioxane;pyridine;toluene
CID 159427625
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
1-butyl-4-methylpiperazine;ethane;2-methylpyridine
CID 144514964
1,4-dimethylimidazole;4-methylmorpholine
CID 142017865

Frequently Asked Questions

What is the IUPAC name of tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole?
The IUPAC name of tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole (CID 160901032) is tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole.
What is the SMILES notation for tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole?
The canonical SMILES for tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CN(C)C.CN(C)c1ccccc1.CN(C)c1ccccc1.CN(C)c1ccccc1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.Cc1cn(C)c(C)n1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole?
The InChIKey is SPMUSPVLDVTBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.3C8H11N.C6H14N2.C6H10N2.C6H13N.C5H11NO.3C5H5N.C3H9N.2C3H8.24C2H6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-9(2)8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-5-4-8(3)6(2)7-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;3*1-2-4-6-5-3-1;1-4(2)3;2*1-3-2;24*1-2/h1-8H;3*3-7H,1-2H3;3-6H2,1-2H3;4H,1-3H3;2-6H2,1H3;2-5H2,1H3;3*1-5H;1-3H3;2*3H2,1-2H3;24*1-2H3.
What are the key properties of tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole?
tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole has a molecular weight of 2050.71 g/mol, XLogP of 40.24, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N,N-dimethylaniline);N,N-dimethylmethanamine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;propane;tris(pyridine);2-pyridin-2-ylpyridine;1,2,4-trimethylimidazole is sourced from PubChem (CID 160901032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).