4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one

C9H19NO2 — CID 60648017

IUPAC4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)C(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)10(6-7-11)5-4-9(3)12/h8,11H,4-7H2,1-3H3
InChIKeyIIZSDMPTBDTYCL-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds6

About 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one

4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one (PubChem CID 60648017) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one
PubChem CID60648017
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)C(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)10(6-7-11)5-4-9(3)12/h8,11H,4-7H2,1-3H3
InChIKeyIIZSDMPTBDTYCL-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxyethyl(propan-2-yl)amino]butan-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 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one?
The IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one (CID 60648017) is 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one is CC(=O)CCN(CCO)C(C)C.
What is the InChIKey of 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one?
The InChIKey is IIZSDMPTBDTYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10(6-7-11)5-4-9(3)12/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one?
4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propan-2-yl)amino]butan-2-one is sourced from PubChem (CID 60648017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).