1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine

C13H20N4 — CID 79102946

IUPAC1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCCn1ccnc1Cn1cccc1C(C)NC
InChIInChI=1S/C13H20N4/c1-4-16-9-7-15-13(16)10-17-8-5-6-12(17)11(2)14-3/h5-9,11,14H,4,10H2,1-3H3
InChIKeyXEPFPUAICZIPMK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine

1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 79102946) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID79102946
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCCn1ccnc1Cn1cccc1C(C)NC
InChIInChI=1S/C13H20N4/c1-4-16-9-7-15-13(16)10-17-8-5-6-12(17)11(2)14-3/h5-9,11,14H,4,10H2,1-3H3
InChIKeyXEPFPUAICZIPMK-UHFFFAOYSA-N
XLogP2.03
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
CID 79102342
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101642
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101753
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102847
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102051
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102152

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine (CID 79102946) is 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine is CCn1ccnc1Cn1cccc1C(C)NC.
What is the InChIKey of 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is XEPFPUAICZIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-16-9-7-15-13(16)10-17-8-5-6-12(17)11(2)14-3/h5-9,11,14H,4,10H2,1-3H3.
What are the key properties of 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 79102946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).