2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol

C6H15NO3 — CID 19967738

IUPAC2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)(CO)CO
InChIInChI=1S/C6H15NO3/c1-7-2-6(3-8,4-9)5-10/h7-10H,2-5H2,1H3
InChIKeyJIFQJVQBOHQWHV-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.83
Rot. Bonds5

About 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol

2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol (PubChem CID 19967738) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol
PubChem CID19967738
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(CO)(CO)CO
InChIInChI=1S/C6H15NO3/c1-7-2-6(3-8,4-9)5-10/h7-10H,2-5H2,1H3
InChIKeyJIFQJVQBOHQWHV-UHFFFAOYSA-N
XLogP-1.83
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-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 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol (CID 19967738) is 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol is CNCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol?
The InChIKey is JIFQJVQBOHQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-7-2-6(3-8,4-9)5-10/h7-10H,2-5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol has a molecular weight of 149.19 g/mol, XLogP of -1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 19967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).