N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine

C12H22N2O2 — CID 66415380

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCCn1ccc(CNCCOCCOC)c1
InChIInChI=1S/C12H22N2O2/c1-3-14-6-4-12(11-14)10-13-5-7-16-9-8-15-2/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyUVXRETYRLDMIJH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds9

About N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine

N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine (PubChem CID 66415380) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
PubChem CID66415380
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCCn1ccc(CNCCOCCOC)c1
InChIInChI=1S/C12H22N2O2/c1-3-14-6-4-12(11-14)10-13-5-7-16-9-8-15-2/h4,6,11,13H,3,5,7-10H2,1-2H3
InChIKeyUVXRETYRLDMIJH-UHFFFAOYSA-N
XLogP1.26
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
CID 66404406
1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 103270503
2-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
CID 83109384
4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine (CID 66415380) is N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine is CCn1ccc(CNCCOCCOC)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The InChIKey is UVXRETYRLDMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14-6-4-12(11-14)10-13-5-7-16-9-8-15-2/h4,6,11,13H,3,5,7-10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 66415380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).