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

C12H20N2O2 — CID 115122517

IUPAC3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
SMILESCC(C)(CNCC(O)CO)c1ccccn1
InChIInChI=1S/C12H20N2O2/c1-12(2,9-13-7-10(16)8-15)11-5-3-4-6-14-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyWJTZDGZQENRZSI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.30
Rot. Bonds6

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

3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol (PubChem CID 115122517) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
PubChem CID115122517
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
SMILESCC(C)(CNCC(O)CO)c1ccccn1
InChIInChI=1S/C12H20N2O2/c1-12(2,9-13-7-10(16)8-15)11-5-3-4-6-14-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyWJTZDGZQENRZSI-UHFFFAOYSA-N
XLogP0.30
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 115262628
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
CID 115203531
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
2-methyl-2-N-(2-methyl-2-pyridin-2-ylpropyl)propane-1,2-diamine
CID 115132375
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol (CID 115122517) is 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol is CC(C)(CNCC(O)CO)c1ccccn1.
What is the InChIKey of 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol?
The InChIKey is WJTZDGZQENRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,9-13-7-10(16)8-15)11-5-3-4-6-14-11/h3-6,10,13,15-16H,7-9H2,1-2H3.
What are the key properties of 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol?
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol has a molecular weight of 224.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol is sourced from PubChem (CID 115122517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).