1-(3-methylimidazolidin-1-yl)ethanol

C6H14N2O — CID 122204865

IUPAC1-(3-methylimidazolidin-1-yl)ethanol
SMILESCC(O)N1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-6(9)8-4-3-7(2)5-8/h6,9H,3-5H2,1-2H3
InChIKeyDZALJCWDFUAWMX-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.47
Rot. Bonds1

About 1-(3-methylimidazolidin-1-yl)ethanol

1-(3-methylimidazolidin-1-yl)ethanol (PubChem CID 122204865) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(3-methylimidazolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylimidazolidin-1-yl)ethanol
PubChem CID122204865
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-(3-methylimidazolidin-1-yl)ethanol
SMILESCC(O)N1CCN(C)C1
InChIInChI=1S/C6H14N2O/c1-6(9)8-4-3-7(2)5-8/h6,9H,3-5H2,1-2H3
InChIKeyDZALJCWDFUAWMX-UHFFFAOYSA-N
XLogP-0.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazolidin-1-yl)ethanol?
The IUPAC name of 1-(3-methylimidazolidin-1-yl)ethanol (CID 122204865) is 1-(3-methylimidazolidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-methylimidazolidin-1-yl)ethanol?
The canonical SMILES for 1-(3-methylimidazolidin-1-yl)ethanol is CC(O)N1CCN(C)C1.
What is the InChIKey of 1-(3-methylimidazolidin-1-yl)ethanol?
The InChIKey is DZALJCWDFUAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(9)8-4-3-7(2)5-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(3-methylimidazolidin-1-yl)ethanol?
1-(3-methylimidazolidin-1-yl)ethanol has a molecular weight of 130.19 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazolidin-1-yl)ethanol is sourced from PubChem (CID 122204865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).