N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine

C14H22N4 — CID 79098674

IUPACN-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
SMILESCCNC(C)c1ccn(CCCn2ccnc2)c1
InChIInChI=1S/C14H22N4/c1-3-16-13(2)14-5-9-17(11-14)7-4-8-18-10-6-15-12-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3
InChIKeyPVWPMHSOTIYHGM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.45
Rot. Bonds7

About N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine

N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine (PubChem CID 79098674) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
PubChem CID79098674
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
SMILESCCNC(C)c1ccn(CCCn2ccnc2)c1
InChIInChI=1S/C14H22N4/c1-3-16-13(2)14-5-9-17(11-14)7-4-8-18-10-6-15-12-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3
InChIKeyPVWPMHSOTIYHGM-UHFFFAOYSA-N
XLogP2.45
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-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

N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]butanenitrile
CID 79099532
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
N-ethyl-1-[1-(4-phenylbutyl)pyrrol-3-yl]ethanamine
CID 114334322
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355617
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79099771
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
CID 79099547
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine (CID 79098674) is N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine is CCNC(C)c1ccn(CCCn2ccnc2)c1.
What is the InChIKey of N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine?
The InChIKey is PVWPMHSOTIYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-16-13(2)14-5-9-17(11-14)7-4-8-18-10-6-15-12-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine?
N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79098674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).