2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine

C11H21N3O — CID 114707924

IUPAC2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCOCCn1cncc1C(C)(C)NC
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-14-9-13-8-10(14)11(2,3)12-4/h8-9,12H,5-7H2,1-4H3
InChIKeyBHWRXHJIYCYKOC-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.37
Rot. Bonds6

About 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114707924) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114707924
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCOCCn1cncc1C(C)(C)NC
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-14-9-13-8-10(14)11(2,3)12-4/h8-9,12H,5-7H2,1-4H3
InChIKeyBHWRXHJIYCYKOC-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.37
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-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114707924) is 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine is CCOCCn1cncc1C(C)(C)NC.
What is the InChIKey of 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is BHWRXHJIYCYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-15-7-6-14-9-13-8-10(14)11(2,3)12-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114707924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).