(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol

C13H20N2O — CID 83131507

IUPAC(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
SMILESC=C(C)CN(CC)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H20N2O/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14-8-12/h6-8,11,16H,2,5,9H2,1,3-4H3/t11-/m0/s1
InChIKeyIBRBTTJIEXPKHE-NSHDSACASA-N
MW220.32 g/mol
LogP2.54
Rot. Bonds5

About (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol (PubChem CID 83131507) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
PubChem CID83131507
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
SMILESC=C(C)CN(CC)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H20N2O/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14-8-12/h6-8,11,16H,2,5,9H2,1,3-4H3/t11-/m0/s1
InChIKeyIBRBTTJIEXPKHE-NSHDSACASA-N
XLogP2.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol (CID 83131507) is (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol is C=C(C)CN(CC)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol?
The InChIKey is IBRBTTJIEXPKHE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15(9-10(2)3)12-6-7-13(11(4)16)14-8-12/h6-8,11,16H,2,5,9H2,1,3-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).