ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)

C109H173F3N8 — CID 158216192

IUPACethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)
SMILESCC.CC.CC.CC.CC.CC(C)CCc1ccccn1.CC(C)CCc1ccncn1.CC(C)CCc1cnccn1.CC(C)CCc1ncccn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)N(C)c1ccccc1.Cc1cc(CC(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3.2C10H15N.4C10H14.3C9H14N2.5C2H6/c1-8(2)4-10-5-9(3)6-11(7-10)12(13,14)15;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)6-7-10-5-3-4-8-11-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)4-5-9-10-6-3-7-11-9;1-8(2)3-4-9-7-10-5-6-11-9;1-8(2)3-4-9-5-6-10-7-11-9;5*1-2/h5-8H,4H2,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;4*3-7,9H,8H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;5*1-2H3
InChIKeyGCRGUZFPMUXDDX-UHFFFAOYSA-N
MW1652.63 g/mol
LogP32.28
Rot. Bonds24

About ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)

ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) (PubChem CID 158216192) has the molecular formula C109H173F3N8 and a molecular weight of 1652.63 g/mol. Its IUPAC name is ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene).

Molecular Properties

Compound Nameethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)
PubChem CID158216192
Molecular FormulaC109H173F3N8
Molecular Weight1652.63 g/mol
Exact Mass1651.37
IUPAC Nameethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)
SMILESCC.CC.CC.CC.CC.CC(C)CCc1ccccn1.CC(C)CCc1ccncn1.CC(C)CCc1cnccn1.CC(C)CCc1ncccn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)N(C)c1ccccc1.Cc1cc(CC(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3.2C10H15N.4C10H14.3C9H14N2.5C2H6/c1-8(2)4-10-5-9(3)6-11(7-10)12(13,14)15;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)6-7-10-5-3-4-8-11-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)4-5-9-10-6-3-7-11-9;1-8(2)3-4-9-7-10-5-6-11-9;1-8(2)3-4-9-5-6-10-7-11-9;5*1-2/h5-8H,4H2,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;4*3-7,9H,8H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;5*1-2H3
InChIKeyGCRGUZFPMUXDDX-UHFFFAOYSA-N
XLogP32.28
TPSA93.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001652.63
LogP ≤ 532.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) with MolForge

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Related Compounds

L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
US11420970, Example 198
CID 156073186
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-N-(pyridin-2-ylmethyl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 11214464
N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 49863783
2-[3-(2-methyl-3-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 58578167
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-[6-(dimethylamino)pyridin-3-yl]pyrido[3,4-b]pyrazin-5-amine
CID 68310172
5-(4-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442482
6-(4-(1-(2-(dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-(4-fluorophenyl)pyrimidin-4-amine
CID 89442484
5-(3-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89442595
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-pyridin-4-yl-pyrimidin-4-ylamine
CID 89445387

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)?
The IUPAC name of ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) (CID 158216192) is ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene).
What is the SMILES notation for ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)?
The canonical SMILES for ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) is CC.CC.CC.CC.CC.CC(C)CCc1ccccn1.CC(C)CCc1ccncn1.CC(C)CCc1cnccn1.CC(C)CCc1ncccn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)N(C)c1ccccc1.Cc1cc(CC(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)?
The InChIKey is GCRGUZFPMUXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.2C10H15N.4C10H14.3C9H14N2.5C2H6/c1-8(2)4-10-5-9(3)6-11(7-10)12(13,14)15;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)6-7-10-5-3-4-8-11-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)4-5-9-10-6-3-7-11-9;1-8(2)3-4-9-7-10-5-6-11-9;1-8(2)3-4-9-5-6-10-7-11-9;5*1-2/h5-8H,4H2,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;4*3-7,9H,8H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;5*1-2H3.
What are the key properties of ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)?
ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) has a molecular weight of 1652.63 g/mol, XLogP of 32.28, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene) is sourced from PubChem (CID 158216192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).