2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine

C15H22N4O — CID 131905423

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCOc1ccc(CNCCn2cnc(C)c2C)cn1
InChIInChI=1S/C15H22N4O/c1-4-20-15-6-5-14(10-17-15)9-16-7-8-19-11-18-12(2)13(19)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyKMADZRCHMOVYNN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.08
Rot. Bonds7

About 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine

2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 131905423) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine
PubChem CID131905423
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCOc1ccc(CNCCn2cnc(C)c2C)cn1
InChIInChI=1S/C15H22N4O/c1-4-20-15-6-5-14(10-17-15)9-16-7-8-19-11-18-12(2)13(19)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyKMADZRCHMOVYNN-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(6-ethoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine (CID 131905423) is 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine is CCOc1ccc(CNCCn2cnc(C)c2C)cn1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is KMADZRCHMOVYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-20-15-6-5-14(10-17-15)9-16-7-8-19-11-18-12(2)13(19)3/h5-6,10-11,16H,4,7-9H2,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine?
2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 131905423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).