Skip to content

2-Aminoethanol;4-methylpentan-2-one

C8H19NO2 — CID 157060535

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-aminoethanol;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.NCCO
InChIInChI=1S/C6H12O.C2H7NO/c1-5(2)4-6(3)7;3-1-2-4/h5H,4H2,1-3H3;4H,1-3H2
InChIKeyABGZOMLVZZBKSJ-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.56
Rot. Bonds3

About 2-Aminoethanol;4-methylpentan-2-one

2-Aminoethanol;4-methylpentan-2-one (PubChem CID 157060535) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-aminoethanol;4-methylpentan-2-one.

Molecular Properties

Compound Name2-Aminoethanol;4-methylpentan-2-one
PubChem CID157060535
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-aminoethanol;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.NCCO
InChIInChI=1S/C6H12O.C2H7NO/c1-5(2)4-6(3)7;3-1-2-4/h5H,4H2,1-3H3;4H,1-3H2
InChIKeyABGZOMLVZZBKSJ-UHFFFAOYSA-N
XLogP0.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-Aminoethanol;4-methylpentan-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 2-Aminoethanol;4-methylpentan-2-one?
The IUPAC name of 2-Aminoethanol;4-methylpentan-2-one (CID 157060535) is 2-aminoethanol;4-methylpentan-2-one.
What is the SMILES notation for 2-Aminoethanol;4-methylpentan-2-one?
The canonical SMILES for 2-Aminoethanol;4-methylpentan-2-one is CC(=O)CC(C)C.NCCO.
What is the InChIKey of 2-Aminoethanol;4-methylpentan-2-one?
The InChIKey is ABGZOMLVZZBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H7NO/c1-5(2)4-6(3)7;3-1-2-4/h5H,4H2,1-3H3;4H,1-3H2.
What are the key properties of 2-Aminoethanol;4-methylpentan-2-one?
2-Aminoethanol;4-methylpentan-2-one has a molecular weight of 161.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Aminoethanol;4-methylpentan-2-one is sourced from PubChem (CID 157060535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.