2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C10H19N3O2 — CID 62743227

IUPAC2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCOCCOCCNCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O2/c1-9-10(13-8-12-9)7-11-3-4-15-6-5-14-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYBRAHCGVCGBFMM-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.47
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 62743227) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID62743227
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCOCCOCCNCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O2/c1-9-10(13-8-12-9)7-11-3-4-15-6-5-14-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYBRAHCGVCGBFMM-UHFFFAOYSA-N
XLogP0.47
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 62743227) is 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is COCCOCCNCc1nc[nH]c1C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is YBRAHCGVCGBFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9-10(13-8-12-9)7-11-3-4-15-6-5-14-2/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62743227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).