2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine

C11H18N2O — CID 103578738

IUPAC2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,4-6,12-13H,1,3,7-10H2
InChIKeyAPABVVLCXZNVSI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.70
Rot. Bonds8

About 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine

2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 103578738) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID103578738
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,4-6,12-13H,1,3,7-10H2
InChIKeyAPABVVLCXZNVSI-UHFFFAOYSA-N
XLogP1.70
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-pyrrol-2-ylmethyl)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-(1H-imidazol-5-ylmethyl)ethanamine
CID 115770529
3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 82941247
2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 103854378
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
CID 103923895
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
2-but-3-enoxy-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 103854371
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
2-but-3-enoxy-N-(isoquinolin-4-ylmethyl)ethanamine
CID 103854346
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 103578738) is 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine is C=CCCOCCNCc1ccc[nH]1.
What is the InChIKey of 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is APABVVLCXZNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-8-14-9-7-12-10-11-5-4-6-13-11/h2,4-6,12-13H,1,3,7-10H2.
What are the key properties of 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine?
2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 103578738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).