2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane

C21H27N — CID 143032513

IUPAC2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane
SMILESC=C(C)c1ccc(-c2ncccc2C)c(CC)c1.CC1CC1
InChIInChI=1S/C17H19N.C4H8/c1-5-14-11-15(12(2)3)8-9-16(14)17-13(4)7-6-10-18-17;1-4-2-3-4/h6-11H,2,5H2,1,3-4H3;4H,2-3H2,1H3
InChIKeyLVPZHYMPPRGQSU-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.07
Rot. Bonds3

About 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane

2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane (PubChem CID 143032513) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane.

Molecular Properties

Compound Name2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane
PubChem CID143032513
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane
SMILESC=C(C)c1ccc(-c2ncccc2C)c(CC)c1.CC1CC1
InChIInChI=1S/C17H19N.C4H8/c1-5-14-11-15(12(2)3)8-9-16(14)17-13(4)7-6-10-18-17;1-4-2-3-4/h6-11H,2,5H2,1,3-4H3;4H,2-3H2,1H3
InChIKeyLVPZHYMPPRGQSU-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpyridine
CID 143030309
(Z)-but-2-ene;3-chloro-2-(2-methyl-4-prop-1-en-2-ylphenyl)pyridine;ethane;propane
CID 143032201
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
3-fluoro-2-(4-prop-1-en-2-ylphenyl)pyridine
CID 143030314
5-butyl-4-(2-methyl-5-prop-1-en-2-ylphenyl)-2,3-dihydroinden-1-one
CID 144788909
1,2-dimethyl-4-prop-1-en-2-ylbenzene;1-(2-ethylphenyl)-N-methylethanimine
CID 143784368
4-tert-butyl-1,2-dimethylbenzene;1,2-dimethyl-4-prop-1-en-2-ylbenzene;ethane;1-ethyl-2-methylbenzene
CID 142057548
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
2-(2-bromo-4-methylphenyl)-3-methylpyridine
CID 177492529
[5-chloro-2-(3-methyl-2-pyridinyl)phenyl] benzoate
CID 132516583
3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
CID 141127125
2-(2-ethoxy-4-methoxyphenyl)-3-methylpyridine
CID 132851345

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane?
The IUPAC name of 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane (CID 143032513) is 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane.
What is the SMILES notation for 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane?
The canonical SMILES for 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane is C=C(C)c1ccc(-c2ncccc2C)c(CC)c1.CC1CC1.
What is the InChIKey of 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane?
The InChIKey is LVPZHYMPPRGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.C4H8/c1-5-14-11-15(12(2)3)8-9-16(14)17-13(4)7-6-10-18-17;1-4-2-3-4/h6-11H,2,5H2,1,3-4H3;4H,2-3H2,1H3.
What are the key properties of 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane?
2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane has a molecular weight of 293.45 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-prop-1-en-2-ylphenyl)-3-methylpyridine;methylcyclopropane is sourced from PubChem (CID 143032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).