1-[ethyl(2-hydroxybutyl)amino]butan-2-ol

C10H23NO2 — CID 14340912

IUPAC1-[ethyl(2-hydroxybutyl)amino]butan-2-ol
SMILESCCC(O)CN(CC)CC(O)CC
InChIInChI=1S/C10H23NO2/c1-4-9(12)7-11(6-3)8-10(13)5-2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyVDHZYHFSCAGWNA-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds7

About 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol

1-[ethyl(2-hydroxybutyl)amino]butan-2-ol (PubChem CID 14340912) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-hydroxybutyl)amino]butan-2-ol
PubChem CID14340912
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-[ethyl(2-hydroxybutyl)amino]butan-2-ol
SMILESCCC(O)CN(CC)CC(O)CC
InChIInChI=1S/C10H23NO2/c1-4-9(12)7-11(6-3)8-10(13)5-2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyVDHZYHFSCAGWNA-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol 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-hydroxybutyl)amino]butan-2-ol?
The IUPAC name of 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol (CID 14340912) is 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol.
What is the SMILES notation for 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol?
The canonical SMILES for 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol is CCC(O)CN(CC)CC(O)CC.
What is the InChIKey of 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol?
The InChIKey is VDHZYHFSCAGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-9(12)7-11(6-3)8-10(13)5-2/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol?
1-[ethyl(2-hydroxybutyl)amino]butan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-hydroxybutyl)amino]butan-2-ol is sourced from PubChem (CID 14340912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).