2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol

C11H18N2O2 — CID 66170728

IUPAC2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1ccncc1
InChIInChI=1S/C11H18N2O2/c1-9(10-3-5-12-6-4-10)13-7-11(2,15)8-14/h3-6,9,13-15H,7-8H2,1-2H3
InChIKeyPIMRIEJQVSLFHL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.48
Rot. Bonds5

About 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol

2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol (PubChem CID 66170728) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
PubChem CID66170728
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1ccncc1
InChIInChI=1S/C11H18N2O2/c1-9(10-3-5-12-6-4-10)13-7-11(2,15)8-14/h3-6,9,13-15H,7-8H2,1-2H3
InChIKeyPIMRIEJQVSLFHL-UHFFFAOYSA-N
XLogP0.48
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66171279
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol (CID 66170728) is 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol is CC(NCC(C)(O)CO)c1ccncc1.
What is the InChIKey of 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol?
The InChIKey is PIMRIEJQVSLFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(10-3-5-12-6-4-10)13-7-11(2,15)8-14/h3-6,9,13-15H,7-8H2,1-2H3.
What are the key properties of 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol?
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol is sourced from PubChem (CID 66170728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).