2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene

C47H78N2 — CID 159689597

IUPAC2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1.Cc1nc(C(C)C)cc(C(C)C)c1C(C)C.Cc1ncc(CC(C)C)c(CC(C)C)c1C(C)C
InChIInChI=1S/C17H29N.C15H25N.C15H24/c1-11(2)8-15-10-18-14(7)17(13(5)6)16(15)9-12(3)4;1-9(2)13-8-14(10(3)4)16-12(7)15(13)11(5)6;1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-13H,8-9H2,1-7H3;8-11H,1-7H3;7-12H,1-6H3
InChIKeyMWFWOIIVVPBBBX-UHFFFAOYSA-N
MW671.15 g/mol
LogP14.73
Rot. Bonds11

About 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene

2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene (PubChem CID 159689597) has the molecular formula C47H78N2 and a molecular weight of 671.15 g/mol. Its IUPAC name is 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene
PubChem CID159689597
Molecular FormulaC47H78N2
Molecular Weight671.15 g/mol
Exact Mass670.62
IUPAC Name2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1.Cc1nc(C(C)C)cc(C(C)C)c1C(C)C.Cc1ncc(CC(C)C)c(CC(C)C)c1C(C)C
InChIInChI=1S/C17H29N.C15H25N.C15H24/c1-11(2)8-15-10-18-14(7)17(13(5)6)16(15)9-12(3)4;1-9(2)13-8-14(10(3)4)16-12(7)15(13)11(5)6;1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-13H,8-9H2,1-7H3;8-11H,1-7H3;7-12H,1-6H3
InChIKeyMWFWOIIVVPBBBX-UHFFFAOYSA-N
XLogP14.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.15
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene (CID 159689597) is 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)cc(C(C)C)c1.Cc1nc(C(C)C)cc(C(C)C)c1C(C)C.Cc1ncc(CC(C)C)c(CC(C)C)c1C(C)C.
What is the InChIKey of 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene?
The InChIKey is MWFWOIIVVPBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.C15H25N.C15H24/c1-11(2)8-15-10-18-14(7)17(13(5)6)16(15)9-12(3)4;1-9(2)13-8-14(10(3)4)16-12(7)15(13)11(5)6;1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-13H,8-9H2,1-7H3;8-11H,1-7H3;7-12H,1-6H3.
What are the key properties of 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene?
2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene has a molecular weight of 671.15 g/mol, XLogP of 14.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis(2-methylpropyl)-3-propan-2-ylpyridine;2-methyl-3,4,6-tri(propan-2-yl)pyridine;1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 159689597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).