2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol

C10H23NO3 — CID 79250118

IUPAC2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
SMILESCCOCC(O)CNC(CO)C(C)C
InChIInChI=1S/C10H23NO3/c1-4-14-7-9(13)5-11-10(6-12)8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyCDLFBWULYBFVNV-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.01
Rot. Bonds8

About 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol

2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol (PubChem CID 79250118) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
PubChem CID79250118
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
SMILESCCOCC(O)CNC(CO)C(C)C
InChIInChI=1S/C10H23NO3/c1-4-14-7-9(13)5-11-10(6-12)8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyCDLFBWULYBFVNV-UHFFFAOYSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-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 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol (CID 79250118) is 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol is CCOCC(O)CNC(CO)C(C)C.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol?
The InChIKey is CDLFBWULYBFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-14-7-9(13)5-11-10(6-12)8(2)3/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol?
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79250118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).