2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol

C13H24N2O2 — CID 79107966

IUPAC2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
SMILESCCCC(NC)c1ccn(CCOCCO)c1
InChIInChI=1S/C13H24N2O2/c1-3-4-13(14-2)12-5-6-15(11-12)7-9-17-10-8-16/h5-6,11,13-14,16H,3-4,7-10H2,1-2H3
InChIKeyKMLJTHZNJOYDEZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.56
Rot. Bonds9

About 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol

2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol (PubChem CID 79107966) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
PubChem CID79107966
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
SMILESCCCC(NC)c1ccn(CCOCCO)c1
InChIInChI=1S/C13H24N2O2/c1-3-4-13(14-2)12-5-6-15(11-12)7-9-17-10-8-16/h5-6,11,13-14,16H,3-4,7-10H2,1-2H3
InChIKeyKMLJTHZNJOYDEZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 106455332
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
2-[2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79096843
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol (CID 79107966) is 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol is CCCC(NC)c1ccn(CCOCCO)c1.
What is the InChIKey of 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol?
The InChIKey is KMLJTHZNJOYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-13(14-2)12-5-6-15(11-12)7-9-17-10-8-16/h5-6,11,13-14,16H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol?
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol has a molecular weight of 240.35 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 79107966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).