5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride

C11H20Cl2N2O2 — CID 138472967

IUPAC5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride
SMILESCC(C)(C)NC[C@H](O)c1cncc(O)c1.Cl.Cl
InChIInChI=1S/C11H18N2O2.2ClH/c1-11(2,3)13-7-10(15)8-4-9(14)6-12-5-8;;/h4-6,10,13-15H,7H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyJNQFKJVFZQWFDP-XRIOVQLTSA-N
MW283.20 g/mol
LogP2.05
Rot. Bonds3

About 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride

5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride (PubChem CID 138472967) has the molecular formula C11H20Cl2N2O2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride
PubChem CID138472967
Molecular FormulaC11H20Cl2N2O2
Molecular Weight283.20 g/mol
Exact Mass282.09
IUPAC Name5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride
SMILESCC(C)(C)NC[C@H](O)c1cncc(O)c1.Cl.Cl
InChIInChI=1S/C11H18N2O2.2ClH/c1-11(2,3)13-7-10(15)8-4-9(14)6-12-5-8;;/h4-6,10,13-15H,7H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyJNQFKJVFZQWFDP-XRIOVQLTSA-N
XLogP2.05
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
3-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-5-(hydroxymethyl)phenol
CID 97301960
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;2,3-dihydroxybutanedioic acid
CID 175330304
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
potassium;bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol);hydrogen sulfate;sulfuric acid
CID 67856539
1-[3,5-bis(sulfanyl)phenyl]-2-(tert-butylamino)ethanol
CID 165378100
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
1-(4-amino-3,5-diiodophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 70405373
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67929030
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride?
The IUPAC name of 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride (CID 138472967) is 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride?
The canonical SMILES for 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride is CC(C)(C)NC[C@H](O)c1cncc(O)c1.Cl.Cl.
What is the InChIKey of 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride?
The InChIKey is JNQFKJVFZQWFDP-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H18N2O2.2ClH/c1-11(2,3)13-7-10(15)8-4-9(14)6-12-5-8;;/h4-6,10,13-15H,7H2,1-3H3;2*1H/t10-;;/m0../s1.
What are the key properties of 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride?
5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride has a molecular weight of 283.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 138472967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).