2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine

C15H29N5 — CID 84743409

IUPAC2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine
SMILESCCN1CCN(C(CNC)c2c(C)nc(C)n2C)CC1
InChIInChI=1S/C15H29N5/c1-6-19-7-9-20(10-8-19)14(11-16-4)15-12(2)17-13(3)18(15)5/h14,16H,6-11H2,1-5H3
InChIKeyCPXXFOPDNWLCRF-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.93
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine

2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine (PubChem CID 84743409) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine
PubChem CID84743409
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine
SMILESCCN1CCN(C(CNC)c2c(C)nc(C)n2C)CC1
InChIInChI=1S/C15H29N5/c1-6-19-7-9-20(10-8-19)14(11-16-4)15-12(2)17-13(3)18(15)5/h14,16H,6-11H2,1-5H3
InChIKeyCPXXFOPDNWLCRF-UHFFFAOYSA-N
XLogP0.93
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine (CID 84743409) is 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine is CCN1CCN(C(CNC)c2c(C)nc(C)n2C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine?
The InChIKey is CPXXFOPDNWLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-19-7-9-20(10-8-19)14(11-16-4)15-12(2)17-13(3)18(15)5/h14,16H,6-11H2,1-5H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine?
2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 84743409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).