4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H24N2O3 — CID 114941187

IUPAC4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCOC(C)(C)CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C14H24N2O3/c1-5-19-14(3,4)9-15-7-12-11(8-17)6-16-10(2)13(12)18/h6,15,17-18H,5,7-9H2,1-4H3
InChIKeyJZWVDMREDFCAII-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.49
Rot. Bonds7

About 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 114941187) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID114941187
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCOC(C)(C)CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C14H24N2O3/c1-5-19-14(3,4)9-15-7-12-11(8-17)6-16-10(2)13(12)18/h6,15,17-18H,5,7-9H2,1-4H3
InChIKeyJZWVDMREDFCAII-UHFFFAOYSA-N
XLogP1.49
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850733
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686331
5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 115742672
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
CID 116686347
3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]propane-1-sulfonic acid
CID 13274849
5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol
CID 115742670
5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol
CID 116686535
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol
CID 114941193

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 114941187) is 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is CCOC(C)(C)CNCc1c(CO)cnc(C)c1O.
What is the InChIKey of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is JZWVDMREDFCAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-19-14(3,4)9-15-7-12-11(8-17)6-16-10(2)13(12)18/h6,15,17-18H,5,7-9H2,1-4H3.
What are the key properties of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 114941187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).