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

C6H15NO2 — CID 15348371

IUPAC2-methyl-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(C)(CO)CO
InChIInChI=1S/C6H15NO2/c1-6(4-8,5-9)3-7-2/h7-9H,3-5H2,1-2H3
InChIKeyJPDWOAOVCHLDTO-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.80
Rot. Bonds4

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

2-methyl-2-(methylaminomethyl)propane-1,3-diol (PubChem CID 15348371) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methyl-2-(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(methylaminomethyl)propane-1,3-diol
PubChem CID15348371
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-methyl-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(C)(CO)CO
InChIInChI=1S/C6H15NO2/c1-6(4-8,5-9)3-7-2/h7-9H,3-5H2,1-2H3
InChIKeyJPDWOAOVCHLDTO-UHFFFAOYSA-N
XLogP-0.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-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-methyl-2-(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(methylaminomethyl)propane-1,3-diol (CID 15348371) is 2-methyl-2-(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(methylaminomethyl)propane-1,3-diol is CNCC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(methylaminomethyl)propane-1,3-diol?
The InChIKey is JPDWOAOVCHLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(4-8,5-9)3-7-2/h7-9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-2-(methylaminomethyl)propane-1,3-diol?
2-methyl-2-(methylaminomethyl)propane-1,3-diol has a molecular weight of 133.19 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 15348371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).