4-[methyl(pyridin-4-yl)amino]butan-2-ol

C10H16N2O — CID 115745235

IUPAC4-[methyl(pyridin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ccncc1
InChIInChI=1S/C10H16N2O/c1-9(13)5-8-12(2)10-3-6-11-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyQLRYFGTZFMHFNT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds4

About 4-[methyl(pyridin-4-yl)amino]butan-2-ol

4-[methyl(pyridin-4-yl)amino]butan-2-ol (PubChem CID 115745235) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[methyl(pyridin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(pyridin-4-yl)amino]butan-2-ol
PubChem CID115745235
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[methyl(pyridin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ccncc1
InChIInChI=1S/C10H16N2O/c1-9(13)5-8-12(2)10-3-6-11-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyQLRYFGTZFMHFNT-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
CID 62593206
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
N'-methyl-N'-pyridin-4-ylmethanediamine
CID 115225635
4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
CID 133455026
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
1-[methyl(pyridin-4-yl)amino]propan-1-ol
CID 70056713
3-[methyl(pyridin-4-yl)amino]propane-1-sulfonic acid
CID 141074185
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
CID 43186264
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 115658287
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(pyridin-4-yl)amino]butan-2-ol (CID 115745235) is 4-[methyl(pyridin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(pyridin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(pyridin-4-yl)amino]butan-2-ol is CC(O)CCN(C)c1ccncc1.
What is the InChIKey of 4-[methyl(pyridin-4-yl)amino]butan-2-ol?
The InChIKey is QLRYFGTZFMHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(13)5-8-12(2)10-3-6-11-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3.
What are the key properties of 4-[methyl(pyridin-4-yl)amino]butan-2-ol?
4-[methyl(pyridin-4-yl)amino]butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 115745235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).