3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole

C14H24N2 — CID 104688231

IUPAC3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole
SMILESCCC1(Cc2cc(C)n(C)c2C)CCCN1
InChIInChI=1S/C14H24N2/c1-5-14(7-6-8-15-14)10-13-9-11(2)16(4)12(13)3/h9,15H,5-8,10H2,1-4H3
InChIKeyMMYNUOAZFUBNQG-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.72
Rot. Bonds3

About 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole

3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole (PubChem CID 104688231) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole
PubChem CID104688231
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole
SMILESCCC1(Cc2cc(C)n(C)c2C)CCCN1
InChIInChI=1S/C14H24N2/c1-5-14(7-6-8-15-14)10-13-9-11(2)16(4)12(13)3/h9,15H,5-8,10H2,1-4H3
InChIKeyMMYNUOAZFUBNQG-UHFFFAOYSA-N
XLogP2.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66466909
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
2-[(2-ethylpiperidin-2-yl)methyl]phenol
CID 115058890
2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 66465553
2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688287
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688281
2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine
CID 102845951
2-[(3-bromo-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 105411973
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole?
The IUPAC name of 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole (CID 104688231) is 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole.
What is the SMILES notation for 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole?
The canonical SMILES for 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole is CCC1(Cc2cc(C)n(C)c2C)CCCN1.
What is the InChIKey of 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole?
The InChIKey is MMYNUOAZFUBNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(7-6-8-15-14)10-13-9-11(2)16(4)12(13)3/h9,15H,5-8,10H2,1-4H3.
What are the key properties of 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole?
3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole has a molecular weight of 220.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole is sourced from PubChem (CID 104688231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).