2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine

C11H20N2O — CID 104649672

IUPAC2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
SMILESCOCCCCn1cccc1CCN
InChIInChI=1S/C11H20N2O/c1-14-10-3-2-8-13-9-4-5-11(13)6-7-12/h4-5,9H,2-3,6-8,10,12H2,1H3
InChIKeySEYJVXPBUAGTCQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.42
Rot. Bonds7

About 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine

2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine (PubChem CID 104649672) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
PubChem CID104649672
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
SMILESCOCCCCn1cccc1CCN
InChIInChI=1S/C11H20N2O/c1-14-10-3-2-8-13-9-4-5-11(13)6-7-12/h4-5,9H,2-3,6-8,10,12H2,1H3
InChIKeySEYJVXPBUAGTCQ-UHFFFAOYSA-N
XLogP1.42
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
CID 57015300
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
CID 66407517

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine (CID 104649672) is 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine is COCCCCn1cccc1CCN.
What is the InChIKey of 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine?
The InChIKey is SEYJVXPBUAGTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-14-10-3-2-8-13-9-4-5-11(13)6-7-12/h4-5,9H,2-3,6-8,10,12H2,1H3.
What are the key properties of 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine?
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 104649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).