6-(2-aminoethyl)-2-ethyloxane-2,5-diol

C9H19NO3 — CID 166879903

IUPAC6-(2-aminoethyl)-2-ethyloxane-2,5-diol
SMILESCCC1(O)CCC(O)C(CCN)O1
InChIInChI=1S/C9H19NO3/c1-2-9(12)5-3-7(11)8(13-9)4-6-10/h7-8,11-12H,2-6,10H2,1H3
InChIKeyAHPMOHVHFBIVJM-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.03
Rot. Bonds3

About 6-(2-aminoethyl)-2-ethyloxane-2,5-diol

6-(2-aminoethyl)-2-ethyloxane-2,5-diol (PubChem CID 166879903) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-ethyloxane-2,5-diol.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-ethyloxane-2,5-diol
PubChem CID166879903
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name6-(2-aminoethyl)-2-ethyloxane-2,5-diol
SMILESCCC1(O)CCC(O)C(CCN)O1
InChIInChI=1S/C9H19NO3/c1-2-9(12)5-3-7(11)8(13-9)4-6-10/h7-8,11-12H,2-6,10H2,1H3
InChIKeyAHPMOHVHFBIVJM-UHFFFAOYSA-N
XLogP-0.03
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-aminoethyl)-2-ethyloxane-2,5-diol 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 6-(2-aminoethyl)-2-ethyloxane-2,5-diol?
The IUPAC name of 6-(2-aminoethyl)-2-ethyloxane-2,5-diol (CID 166879903) is 6-(2-aminoethyl)-2-ethyloxane-2,5-diol.
What is the SMILES notation for 6-(2-aminoethyl)-2-ethyloxane-2,5-diol?
The canonical SMILES for 6-(2-aminoethyl)-2-ethyloxane-2,5-diol is CCC1(O)CCC(O)C(CCN)O1.
What is the InChIKey of 6-(2-aminoethyl)-2-ethyloxane-2,5-diol?
The InChIKey is AHPMOHVHFBIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-9(12)5-3-7(11)8(13-9)4-6-10/h7-8,11-12H,2-6,10H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2-ethyloxane-2,5-diol?
6-(2-aminoethyl)-2-ethyloxane-2,5-diol has a molecular weight of 189.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-ethyloxane-2,5-diol is sourced from PubChem (CID 166879903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).