3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine

C19H26N2OS — CID 135322514

IUPAC3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H26N2OS/c1-2-22-16-19(8-7-18-6-4-12-23-18)9-11-21(15-19)14-17-5-3-10-20-13-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3
InChIKeyDKQJUNNQGGKKPU-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.00
Rot. Bonds8

About 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine

3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 135322514) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID135322514
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H26N2OS/c1-2-22-16-19(8-7-18-6-4-12-23-18)9-11-21(15-19)14-17-5-3-10-20-13-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3
InChIKeyDKQJUNNQGGKKPU-UHFFFAOYSA-N
XLogP4.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114
ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline
CID 142429980
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
4-[[(3R)-3-(ethoxymethyl)-3-[2-(5-methylthiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135323006
3-ethyl-13-(pyridin-3-ylmethyl)-9-(thiophen-2-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131671135
3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 167358488
3-[[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine-4-carbonitrile
CID 175820952

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine (CID 135322514) is 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine is CCOCC1(CCc2cccs2)CCN(Cc2cccnc2)C1.
What is the InChIKey of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is DKQJUNNQGGKKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-2-22-16-19(8-7-18-6-4-12-23-18)9-11-21(15-19)14-17-5-3-10-20-13-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3.
What are the key properties of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine?
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 330.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 135322514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).