1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine

C12H18N4 — CID 114528940

IUPAC1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CCc1nccn1C
InChIInChI=1S/C12H18N4/c1-10(13)11-4-3-7-16(11)8-5-12-14-6-9-15(12)2/h3-4,6-7,9-10H,5,8,13H2,1-2H3
InChIKeyHMUMTLYBJFEPLL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds4

About 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine

1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 114528940) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
PubChem CID114528940
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CCc1nccn1C
InChIInChI=1S/C12H18N4/c1-10(13)11-4-3-7-16(11)8-5-12-14-6-9-15(12)2/h3-4,6-7,9-10H,5,8,13H2,1-2H3
InChIKeyHMUMTLYBJFEPLL-UHFFFAOYSA-N
XLogP1.48
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
methanamine;1-methyl-2-propylimidazole
CID 164902083
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine (CID 114528940) is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1CCc1nccn1C.
What is the InChIKey of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is HMUMTLYBJFEPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(13)11-4-3-7-16(11)8-5-12-14-6-9-15(12)2/h3-4,6-7,9-10H,5,8,13H2,1-2H3.
What are the key properties of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine?
1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 114528940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).