(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol

C12H21N3O — CID 155154418

IUPAC(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
SMILESCNc1cccc([C@@H](O)CNC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-8-10(16)9-6-5-7-11(13-4)15-9/h5-7,10,14,16H,8H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyUWOCCMLOSVFLNG-JTQLQIEISA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds4

About (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol

(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol (PubChem CID 155154418) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
PubChem CID155154418
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
SMILESCNc1cccc([C@@H](O)CNC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-8-10(16)9-6-5-7-11(13-4)15-9/h5-7,10,14,16H,8H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyUWOCCMLOSVFLNG-JTQLQIEISA-N
XLogP1.54
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol (CID 155154418) is (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol is CNc1cccc([C@@H](O)CNC(C)(C)C)n1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol?
The InChIKey is UWOCCMLOSVFLNG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)14-8-10(16)9-6-5-7-11(13-4)15-9/h5-7,10,14,16H,8H2,1-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol?
(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol is sourced from PubChem (CID 155154418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).