2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

C13H18N4 — CID 62567738

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ncn(CCNCc2ccccn2)c1C
InChIInChI=1S/C13H18N4/c1-11-12(2)17(10-16-11)8-7-14-9-13-5-3-4-6-15-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyJEHCWLCDGVNGOZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.68
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62567738) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62567738
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ncn(CCNCc2ccccn2)c1C
InChIInChI=1S/C13H18N4/c1-11-12(2)17(10-16-11)8-7-14-9-13-5-3-4-6-15-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyJEHCWLCDGVNGOZ-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 62567738) is 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is Cc1ncn(CCNCc2ccccn2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is JEHCWLCDGVNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-12(2)17(10-16-11)8-7-14-9-13-5-3-4-6-15-13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62567738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).