4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane

C126H203F3N8O2 — CID 167610408

IUPAC4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(C)C.CC(C)C(c1cc(C(C)(C)C)ccn1)C(C)C.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1cccc(C(F)(F)F)n1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1cncnc1)C(C)C.Cc1ccnc(C(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27N.C14H20O2.C13H18F3N.C13H21N.C13H20.3C12H19N.C11H18N2.C10H22/c1-11(2)15(12(3)4)14-10-13(8-9-17-14)16(5,6)7;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-8(2)12(9(3)4)10-6-5-7-11(17-10)13(14,15)16;1-9(2)13(10(3)4)12-8-11(5)6-7-14-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;3*1-9(2)12(10(3)4)11-7-5-6-8-13-11;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-7(2)10(8(3)4)9(5)6/h8-12,15H,1-7H3;5-10,13H,1-4H3,(H,15,16);5-9,12H,1-4H3;6-10,13H,1-5H3;5-11,13H,1-4H3;3*5-10,12H,1-4H3;5-9,11H,1-4H3;7-10H,1-6H3
InChIKeyKYRZFAYVILAFPR-UHFFFAOYSA-N
MW1919.06 g/mol
LogP37.79
Rot. Bonds31

About 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane

4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane (PubChem CID 167610408) has the molecular formula C126H203F3N8O2 and a molecular weight of 1919.06 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane
PubChem CID167610408
Molecular FormulaC126H203F3N8O2
Molecular Weight1919.06 g/mol
Exact Mass1917.60
IUPAC Name4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane
SMILESCC(C)C(C(C)C)C(C)C.CC(C)C(c1cc(C(C)(C)C)ccn1)C(C)C.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1cccc(C(F)(F)F)n1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1cncnc1)C(C)C.Cc1ccnc(C(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27N.C14H20O2.C13H18F3N.C13H21N.C13H20.3C12H19N.C11H18N2.C10H22/c1-11(2)15(12(3)4)14-10-13(8-9-17-14)16(5,6)7;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-8(2)12(9(3)4)10-6-5-7-11(17-10)13(14,15)16;1-9(2)13(10(3)4)12-8-11(5)6-7-14-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;3*1-9(2)12(10(3)4)11-7-5-6-8-13-11;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-7(2)10(8(3)4)9(5)6/h8-12,15H,1-7H3;5-10,13H,1-4H3,(H,15,16);5-9,12H,1-4H3;6-10,13H,1-5H3;5-11,13H,1-4H3;3*5-10,12H,1-4H3;5-9,11H,1-4H3;7-10H,1-6H3
InChIKeyKYRZFAYVILAFPR-UHFFFAOYSA-N
XLogP37.79
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001919.06
LogP ≤ 537.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane with MolForge

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Related Compounds

4-[2-(4-Pyridinylamino)-4-pyrimidinyl]benzoic acid
CID 44453853
4-[2-[[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]amino]pyrimidin-4-yl]benzoic acid
CID 44453953
(5S)-2-{1-[5-(3-Carboxyphenyl)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{(S)-fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 71657276
US9969726, Example 116
CID 118577130
US9969726, Example 69
CID 118577294
US9969726, Example 97
CID 118586367
US9969726, Example 82
CID 118586625
US9969726, Example 73
CID 118586633
US9969726, Example 79
CID 118586634
US9969726, Example 76
CID 118586637
US9969726, Example 81
CID 118586685
US9969726, Example 84
CID 118586689

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane?
The IUPAC name of 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane (CID 167610408) is 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane.
What is the SMILES notation for 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane?
The canonical SMILES for 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane is CC(C)C(C(C)C)C(C)C.CC(C)C(c1cc(C(C)(C)C)ccn1)C(C)C.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1cccc(C(F)(F)F)n1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1ccccn1)C(C)C.CC(C)C(c1cncnc1)C(C)C.Cc1ccnc(C(C(C)C)C(C)C)c1.
What is the InChIKey of 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane?
The InChIKey is KYRZFAYVILAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.C14H20O2.C13H18F3N.C13H21N.C13H20.3C12H19N.C11H18N2.C10H22/c1-11(2)15(12(3)4)14-10-13(8-9-17-14)16(5,6)7;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-8(2)12(9(3)4)10-6-5-7-11(17-10)13(14,15)16;1-9(2)13(10(3)4)12-8-11(5)6-7-14-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;3*1-9(2)12(10(3)4)11-7-5-6-8-13-11;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-7(2)10(8(3)4)9(5)6/h8-12,15H,1-7H3;5-10,13H,1-4H3,(H,15,16);5-9,12H,1-4H3;6-10,13H,1-5H3;5-11,13H,1-4H3;3*5-10,12H,1-4H3;5-9,11H,1-4H3;7-10H,1-6H3.
What are the key properties of 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane?
4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane has a molecular weight of 1919.06 g/mol, XLogP of 37.79, 31 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane is sourced from PubChem (CID 167610408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).