2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol

C12H20N2O2 — CID 71683196

IUPAC2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol
SMILESCN(Cc1cccnc1)CC(C)(CO)CO
InChIInChI=1S/C12H20N2O2/c1-12(9-15,10-16)8-14(2)7-11-4-3-5-13-6-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyGQRSDLGEWFMULJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.50
Rot. Bonds6

About 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol

2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol (PubChem CID 71683196) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol
PubChem CID71683196
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol
SMILESCN(Cc1cccnc1)CC(C)(CO)CO
InChIInChI=1S/C12H20N2O2/c1-12(9-15,10-16)8-14(2)7-11-4-3-5-13-6-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyGQRSDLGEWFMULJ-UHFFFAOYSA-N
XLogP0.50
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol (CID 71683196) is 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol is CN(Cc1cccnc1)CC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol?
The InChIKey is GQRSDLGEWFMULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(9-15,10-16)8-14(2)7-11-4-3-5-13-6-11/h3-6,15-16H,7-10H2,1-2H3.
What are the key properties of 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol?
2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol has a molecular weight of 224.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol is sourced from PubChem (CID 71683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).