2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine

C18H21N — CID 156882081

IUPAC2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
SMILESC=C(C)c1ccccc1CC(C)c1ccc(C)nc1
InChIInChI=1S/C18H21N/c1-13(2)18-8-6-5-7-16(18)11-14(3)17-10-9-15(4)19-12-17/h5-10,12,14H,1,11H2,2-4H3
InChIKeyVETXDVSDKGSTQJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.77
Rot. Bonds4

About 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine

2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine (PubChem CID 156882081) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
PubChem CID156882081
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
SMILESC=C(C)c1ccccc1CC(C)c1ccc(C)nc1
InChIInChI=1S/C18H21N/c1-13(2)18-8-6-5-7-16(18)11-14(3)17-10-9-15(4)19-12-17/h5-10,12,14H,1,11H2,2-4H3
InChIKeyVETXDVSDKGSTQJ-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine (CID 156882081) is 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine is C=C(C)c1ccccc1CC(C)c1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?
The InChIKey is VETXDVSDKGSTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)18-8-6-5-7-16(18)11-14(3)17-10-9-15(4)19-12-17/h5-10,12,14H,1,11H2,2-4H3.
What are the key properties of 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine?
2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 156882081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).