(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol

C13H22N2O — CID 83131859

IUPAC(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
SMILESCCCC(C)N(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C13H22N2O/c1-5-6-10(2)15(4)12-7-8-13(11(3)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m1/s1
InChIKeyYHGBUCHEYZTARY-RRKGBCIJSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds5

About (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol

(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol (PubChem CID 83131859) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
PubChem CID83131859
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
SMILESCCCC(C)N(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C13H22N2O/c1-5-6-10(2)15(4)12-7-8-13(11(3)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m1/s1
InChIKeyYHGBUCHEYZTARY-RRKGBCIJSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol (CID 83131859) is (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol is CCCC(C)N(C)c1ccc([C@@H](C)O)nc1.
What is the InChIKey of (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol?
The InChIKey is YHGBUCHEYZTARY-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-6-10(2)15(4)12-7-8-13(11(3)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol?
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).