2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine

C11H20N2O — CID 116791267

IUPAC2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCOCCn1c(C)cc(CCN)c1C
InChIInChI=1S/C11H20N2O/c1-9-8-11(4-5-12)10(2)13(9)6-7-14-3/h8H,4-7,12H2,1-3H3
InChIKeyYBKKWCQNYUTWQC-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.25
Rot. Bonds5

About 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine

2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine (PubChem CID 116791267) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine
PubChem CID116791267
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCOCCn1c(C)cc(CCN)c1C
InChIInChI=1S/C11H20N2O/c1-9-8-11(4-5-12)10(2)13(9)6-7-14-3/h8H,4-7,12H2,1-3H3
InChIKeyYBKKWCQNYUTWQC-UHFFFAOYSA-N
XLogP1.25
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine (CID 116791267) is 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine is COCCn1c(C)cc(CCN)c1C.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The InChIKey is YBKKWCQNYUTWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-8-11(4-5-12)10(2)13(9)6-7-14-3/h8H,4-7,12H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine is sourced from PubChem (CID 116791267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).