1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine

C10H18N2O — CID 79098433

IUPAC1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine
SMILESCCOCn1ccc(C(C)NC)c1
InChIInChI=1S/C10H18N2O/c1-4-13-8-12-6-5-10(7-12)9(2)11-3/h5-7,9,11H,4,8H2,1-3H3
InChIKeyLDDOVCNJWUFBNZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine

1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine (PubChem CID 79098433) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine
PubChem CID79098433
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine
SMILESCCOCn1ccc(C(C)NC)c1
InChIInChI=1S/C10H18N2O/c1-4-13-8-12-6-5-10(7-12)9(2)11-3/h5-7,9,11H,4,8H2,1-3H3
InChIKeyLDDOVCNJWUFBNZ-UHFFFAOYSA-N
XLogP1.76
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine (CID 79098433) is 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine is CCOCn1ccc(C(C)NC)c1.
What is the InChIKey of 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine?
The InChIKey is LDDOVCNJWUFBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-13-8-12-6-5-10(7-12)9(2)11-3/h5-7,9,11H,4,8H2,1-3H3.
What are the key properties of 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine?
1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine is sourced from PubChem (CID 79098433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).