5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine

C18H24N2 — CID 170265835

IUPAC5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(CC(C)c2cccn2C2CC2)cn1
InChIInChI=1S/C18H24N2/c1-13(2)17-9-6-15(12-19-17)11-14(3)18-5-4-10-20(18)16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3
InChIKeyNGATYQYUJGLERX-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.69
Rot. Bonds5

About 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine

5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine (PubChem CID 170265835) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine
PubChem CID170265835
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(CC(C)c2cccn2C2CC2)cn1
InChIInChI=1S/C18H24N2/c1-13(2)17-9-6-15(12-19-17)11-14(3)18-5-4-10-20(18)16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3
InChIKeyNGATYQYUJGLERX-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine?
The IUPAC name of 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine (CID 170265835) is 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine.
What is the SMILES notation for 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine?
The canonical SMILES for 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine is CC(C)c1ccc(CC(C)c2cccn2C2CC2)cn1.
What is the InChIKey of 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine?
The InChIKey is NGATYQYUJGLERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)17-9-6-15(12-19-17)11-14(3)18-5-4-10-20(18)16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3.
What are the key properties of 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine?
5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine has a molecular weight of 268.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylpyrrol-2-yl)propyl]-2-propan-2-ylpyridine is sourced from PubChem (CID 170265835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).