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

C12H21N3O — CID 155620556

IUPAC(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol
SMILES[2H]C([2H])([2H])Nc1cccc([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/i4D3
InChIKeyUWOCCMLOSVFLNG-KDSJRMBXSA-N
MW226.34 g/mol
LogP1.54
Rot. Bonds5

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

(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol (PubChem CID 155620556) has the molecular formula C12H21N3O and a molecular weight of 226.34 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol
PubChem CID155620556
Molecular FormulaC12H21N3O
Molecular Weight226.34 g/mol
Exact Mass226.19
IUPAC Name(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol
SMILES[2H]C([2H])([2H])Nc1cccc([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/i4D3
InChIKeyUWOCCMLOSVFLNG-KDSJRMBXSA-N
XLogP1.54
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
CID 155154418
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
CID 155154303
(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155154323
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155162177
6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide
CID 155154232
(1R)-2-(tert-butylamino)-1-[6-(2-methylphenyl)-2-pyridinyl]ethanol
CID 155154266
(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane
CID 158718801
(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane
CID 158367640
(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
CID 159416037
2-(tert-butylamino)-1-(6-morpholin-4-yl-2-pyridinyl)ethanol
CID 170592933
(1R)-2-(tert-butylamino)-1-(6-morpholin-4-yl-2-pyridinyl)ethanol
CID 155154273
2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 155701455

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol (CID 155620556) is (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol is [2H]C([2H])([2H])Nc1cccc([C@@H](O)CNC(C)(C)C)n1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol?
The InChIKey is UWOCCMLOSVFLNG-KDSJRMBXSA-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/i4D3.
What are the key properties of (1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol?
(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.54, 5 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-(trideuteriomethylamino)-2-pyridinyl]ethanol is sourced from PubChem (CID 155620556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).