2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine

C13H18N4 — CID 80634700

IUPAC2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCCc1nccn1-c1ncc(CCN)cc1C
InChIInChI=1S/C13H18N4/c1-3-12-15-6-7-17(12)13-10(2)8-11(4-5-14)9-16-13/h6-9H,3-5,14H2,1-2H3
InChIKeyYFCTYPCEFOGEAP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.64
Rot. Bonds4

About 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine

2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80634700) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80634700
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCCc1nccn1-c1ncc(CCN)cc1C
InChIInChI=1S/C13H18N4/c1-3-12-15-6-7-17(12)13-10(2)8-11(4-5-14)9-16-13/h6-9H,3-5,14H2,1-2H3
InChIKeyYFCTYPCEFOGEAP-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine (CID 80634700) is 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine is CCc1nccn1-c1ncc(CCN)cc1C.
What is the InChIKey of 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is YFCTYPCEFOGEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-12-15-6-7-17(12)13-10(2)8-11(4-5-14)9-16-13/h6-9H,3-5,14H2,1-2H3.
What are the key properties of 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).