4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol

C12H22N2O — CID 79101966

IUPAC4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
SMILESCCNC(C)c1cccn1CCCCO
InChIInChI=1S/C12H22N2O/c1-3-13-11(2)12-7-6-9-14(12)8-4-5-10-15/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3
InChIKeyFCNQOVZODWMXSH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.93
Rot. Bonds7

About 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol

4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol (PubChem CID 79101966) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
PubChem CID79101966
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
SMILESCCNC(C)c1cccn1CCCCO
InChIInChI=1S/C12H22N2O/c1-3-13-11(2)12-7-6-9-14(12)8-4-5-10-15/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3
InChIKeyFCNQOVZODWMXSH-UHFFFAOYSA-N
XLogP1.93
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79102262
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
CID 79619831
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79102060

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol (CID 79101966) is 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol is CCNC(C)c1cccn1CCCCO.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol?
The InChIKey is FCNQOVZODWMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-13-11(2)12-7-6-9-14(12)8-4-5-10-15/h6-7,9,11,13,15H,3-5,8,10H2,1-2H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol?
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol is sourced from PubChem (CID 79101966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).