2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine

C14H22N2 — CID 66613040

IUPAC2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine
SMILESCCC1CCCN1CCc1ncccc1C
InChIInChI=1S/C14H22N2/c1-3-13-7-5-10-16(13)11-8-14-12(2)6-4-9-15-14/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3
InChIKeyYDCUQIZIXDHSQW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.81
Rot. Bonds4

About 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine

2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine (PubChem CID 66613040) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine
PubChem CID66613040
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine
SMILESCCC1CCCN1CCc1ncccc1C
InChIInChI=1S/C14H22N2/c1-3-13-7-5-10-16(13)11-8-14-12(2)6-4-9-15-14/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3
InChIKeyYDCUQIZIXDHSQW-UHFFFAOYSA-N
XLogP2.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine (CID 66613040) is 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine is CCC1CCCN1CCc1ncccc1C.
What is the InChIKey of 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine?
The InChIKey is YDCUQIZIXDHSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-13-7-5-10-16(13)11-8-14-12(2)6-4-9-15-14/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine?
2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66613040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).