2-(3-methylimidazolidin-3-ium-1-yl)ethanol

C6H15N2O+ — CID 134856992

IUPAC2-(3-methylimidazolidin-3-ium-1-yl)ethanol
SMILESC[NH+]1CCN(CCO)C1
InChIInChI=1S/C6H14N2O/c1-7-2-3-8(6-7)4-5-9/h9H,2-6H2,1H3/p+1
InChIKeyDYLPOZDAWUXMMG-UHFFFAOYSA-O
MW131.20 g/mol
LogP-2.23
Rot. Bonds2

About 2-(3-methylimidazolidin-3-ium-1-yl)ethanol

2-(3-methylimidazolidin-3-ium-1-yl)ethanol (PubChem CID 134856992) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-(3-methylimidazolidin-3-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylimidazolidin-3-ium-1-yl)ethanol
PubChem CID134856992
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Name2-(3-methylimidazolidin-3-ium-1-yl)ethanol
SMILESC[NH+]1CCN(CCO)C1
InChIInChI=1S/C6H14N2O/c1-7-2-3-8(6-7)4-5-9/h9H,2-6H2,1H3/p+1
InChIKeyDYLPOZDAWUXMMG-UHFFFAOYSA-O
XLogP-2.23
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazolidin-3-ium-1-yl)ethanol?
The IUPAC name of 2-(3-methylimidazolidin-3-ium-1-yl)ethanol (CID 134856992) is 2-(3-methylimidazolidin-3-ium-1-yl)ethanol.
What is the SMILES notation for 2-(3-methylimidazolidin-3-ium-1-yl)ethanol?
The canonical SMILES for 2-(3-methylimidazolidin-3-ium-1-yl)ethanol is C[NH+]1CCN(CCO)C1.
What is the InChIKey of 2-(3-methylimidazolidin-3-ium-1-yl)ethanol?
The InChIKey is DYLPOZDAWUXMMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O/c1-7-2-3-8(6-7)4-5-9/h9H,2-6H2,1H3/p+1.
What are the key properties of 2-(3-methylimidazolidin-3-ium-1-yl)ethanol?
2-(3-methylimidazolidin-3-ium-1-yl)ethanol has a molecular weight of 131.20 g/mol, XLogP of -2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazolidin-3-ium-1-yl)ethanol is sourced from PubChem (CID 134856992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).