2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine

C15H26N2O — CID 106397577

IUPAC2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cc(C)n(CC)c1C
InChIInChI=1S/C15H26N2O/c1-5-7-9-18-10-8-16-12-15-11-13(3)17(6-2)14(15)4/h5,11,16H,1,6-10,12H2,2-4H3
InChIKeyIOUCQVOWPOCURK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds9

About 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine

2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 106397577) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID106397577
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cc(C)n(CC)c1C
InChIInChI=1S/C15H26N2O/c1-5-7-9-18-10-8-16-12-15-11-13(3)17(6-2)14(15)4/h5,11,16H,1,6-10,12H2,2-4H3
InChIKeyIOUCQVOWPOCURK-UHFFFAOYSA-N
XLogP2.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]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-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103894055
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 79604938
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
CID 103923895
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
2-(5-bromothiophen-2-yl)-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106044016
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 106402039
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine (CID 106397577) is 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine is C=CCCOCCNCc1cc(C)n(CC)c1C.
What is the InChIKey of 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is IOUCQVOWPOCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-9-18-10-8-16-12-15-11-13(3)17(6-2)14(15)4/h5,11,16H,1,6-10,12H2,2-4H3.
What are the key properties of 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106397577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).