2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane

C9H24N2O3 — CID 54171414

IUPAC2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane
SMILESC1CO1.CN(C)CCO.CNCCO
InChIInChI=1S/C4H11NO.C3H9NO.C2H4O/c1-5(2)3-4-6;1-4-2-3-5;1-2-3-1/h6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;1-2H2
InChIKeyOVHKRZHVNUXSMJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP-1.25
Rot. Bonds4

About 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane

2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane (PubChem CID 54171414) has the molecular formula C9H24N2O3 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane
PubChem CID54171414
Molecular FormulaC9H24N2O3
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane
SMILESC1CO1.CN(C)CCO.CNCCO
InChIInChI=1S/C4H11NO.C3H9NO.C2H4O/c1-5(2)3-4-6;1-4-2-3-5;1-2-3-1/h6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;1-2H2
InChIKeyOVHKRZHVNUXSMJ-UHFFFAOYSA-N
XLogP-1.25
TPSA68.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane?
The IUPAC name of 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane (CID 54171414) is 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane.
What is the SMILES notation for 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane?
The canonical SMILES for 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane is C1CO1.CN(C)CCO.CNCCO.
What is the InChIKey of 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane?
The InChIKey is OVHKRZHVNUXSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H9NO.C2H4O/c1-5(2)3-4-6;1-4-2-3-5;1-2-3-1/h6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;1-2H2.
What are the key properties of 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane?
2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane has a molecular weight of 208.30 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2-(methylamino)ethanol;oxirane is sourced from PubChem (CID 54171414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).