1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine

C13H25N3O3 — CID 104567631

IUPAC1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1CCOCCOCCOC
InChIInChI=1S/C13H25N3O3/c1-12-15-11-13(10-14-2)16(12)4-5-18-8-9-19-7-6-17-3/h11,14H,4-10H2,1-3H3
InChIKeyZYFCVAZUUZGPDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.59
Rot. Bonds11

About 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine

1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine (PubChem CID 104567631) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
PubChem CID104567631
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1CCOCCOCCOC
InChIInChI=1S/C13H25N3O3/c1-12-15-11-13(10-14-2)16(12)4-5-18-8-9-19-7-6-17-3/h11,14H,4-10H2,1-3H3
InChIKeyZYFCVAZUUZGPDT-UHFFFAOYSA-N
XLogP0.59
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine (CID 104567631) is 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine is CNCc1cnc(C)n1CCOCCOCCOC.
What is the InChIKey of 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is ZYFCVAZUUZGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12-15-11-13(10-14-2)16(12)4-5-18-8-9-19-7-6-17-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 0.59, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 104567631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).