(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol

C13H22N2O — CID 83132626

IUPAC(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
SMILESCCC(C)N(CC)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H22N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyAOWIZAGVNFXTKH-DTIOYNMSSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds5

About (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132626) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
PubChem CID83132626
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
SMILESCCC(C)N(CC)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H22N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyAOWIZAGVNFXTKH-DTIOYNMSSA-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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Related Compounds

1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
CID 103189789
1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
CID 83131569
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83131507
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol (CID 83132626) is (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol is CCC(C)N(CC)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol?
The InChIKey is AOWIZAGVNFXTKH-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-11,16H,5-6H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[butan-2-yl(ethyl)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 (1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).