1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one

C9H19NO2 — CID 79395089

IUPAC1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCCN(CCO)CC(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-4-10(5-6-11)7-9(12)8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyFIWCYGGNXKPDOI-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds6

About 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one

1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (PubChem CID 79395089) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
PubChem CID79395089
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCCN(CCO)CC(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-4-10(5-6-11)7-9(12)8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyFIWCYGGNXKPDOI-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (CID 79395089) is 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is CCN(CCO)CC(=O)C(C)C.
What is the InChIKey of 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The InChIKey is FIWCYGGNXKPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10(5-6-11)7-9(12)8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79395089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).