2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine

C11H21N3O2 — CID 103412214

IUPAC2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
SMILESCOCCOCCCn1cnc(CCN)c1
InChIInChI=1S/C11H21N3O2/c1-15-7-8-16-6-2-5-14-9-11(3-4-12)13-10-14/h9-10H,2-8,12H2,1H3
InChIKeyKPUWESRFNMWUPA-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.44
Rot. Bonds9

About 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine

2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine (PubChem CID 103412214) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
PubChem CID103412214
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
SMILESCOCCOCCCn1cnc(CCN)c1
InChIInChI=1S/C11H21N3O2/c1-15-7-8-16-6-2-5-14-9-11(3-4-12)13-10-14/h9-10H,2-8,12H2,1H3
InChIKeyKPUWESRFNMWUPA-UHFFFAOYSA-N
XLogP0.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.44
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-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine (CID 103412214) is 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine is COCCOCCCn1cnc(CCN)c1.
What is the InChIKey of 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine?
The InChIKey is KPUWESRFNMWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-15-7-8-16-6-2-5-14-9-11(3-4-12)13-10-14/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine?
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 0.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 103412214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).