4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol

C9H20N2O2 — CID 114948482

IUPAC4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCN)CC1(O)CCOCC1
InChIInChI=1S/C9H20N2O2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8,10H2,1H3
InChIKeyGJMGBXRECVKMMO-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.58
Rot. Bonds4

About 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol

4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114948482) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114948482
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCN)CC1(O)CCOCC1
InChIInChI=1S/C9H20N2O2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8,10H2,1H3
InChIKeyGJMGBXRECVKMMO-UHFFFAOYSA-N
XLogP-0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-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 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol (CID 114948482) is 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol is CN(CCN)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is GJMGBXRECVKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8,10H2,1H3.
What are the key properties of 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol?
4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 188.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-aminoethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114948482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).