2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine

C12H23N5 — CID 107500649

IUPAC2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCCN1CCN(Cc2cn(CCN)cn2)CC1
InChIInChI=1S/C12H23N5/c1-2-15-5-7-16(8-6-15)9-12-10-17(4-3-13)11-14-12/h10-11H,2-9,13H2,1H3
InChIKeyJKCGGXWBEDLTFL-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.02
Rot. Bonds5

About 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine

2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine (PubChem CID 107500649) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
PubChem CID107500649
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCCN1CCN(Cc2cn(CCN)cn2)CC1
InChIInChI=1S/C12H23N5/c1-2-15-5-7-16(8-6-15)9-12-10-17(4-3-13)11-14-12/h10-11H,2-9,13H2,1H3
InChIKeyJKCGGXWBEDLTFL-UHFFFAOYSA-N
XLogP-0.02
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine (CID 107500649) is 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine is CCN1CCN(Cc2cn(CCN)cn2)CC1.
What is the InChIKey of 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine?
The InChIKey is JKCGGXWBEDLTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-2-15-5-7-16(8-6-15)9-12-10-17(4-3-13)11-14-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine?
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107500649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).