(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol

C11H19N3O — CID 155162177

IUPAC(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(N)n1
InChIInChI=1S/C11H19N3O/c1-11(2,3)13-7-9(15)8-5-4-6-10(12)14-8/h4-6,9,13,15H,7H2,1-3H3,(H2,12,14)/t9-/m0/s1
InChIKeyRROKRGHEUOJKQZ-VIFPVBQESA-N
MW209.29 g/mol
LogP1.09
Rot. Bonds3

About (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol

(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol (PubChem CID 155162177) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
PubChem CID155162177
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(N)n1
InChIInChI=1S/C11H19N3O/c1-11(2,3)13-7-9(15)8-5-4-6-10(12)14-8/h4-6,9,13,15H,7H2,1-3H3,(H2,12,14)/t9-/m0/s1
InChIKeyRROKRGHEUOJKQZ-VIFPVBQESA-N
XLogP1.09
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The IUPAC name of (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol (CID 155162177) is (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The canonical SMILES for (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol is CC(C)(C)NC[C@H](O)c1cccc(N)n1.
What is the InChIKey of (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The InChIKey is RROKRGHEUOJKQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)13-7-9(15)8-5-4-6-10(12)14-8/h4-6,9,13,15H,7H2,1-3H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol?
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 155162177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).