3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol

C10H16N2O2 — CID 81218518

IUPAC3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cnccc1N
InChIInChI=1S/C10H16N2O2/c1-10(2,6-13)7-14-9-5-12-4-3-8(9)11/h3-5,13H,6-7H2,1-2H3,(H2,11,12)
InChIKeyRQJHLTIOGBHSCI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.06
Rot. Bonds4

About 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol

3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol (PubChem CID 81218518) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol
PubChem CID81218518
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cnccc1N
InChIInChI=1S/C10H16N2O2/c1-10(2,6-13)7-14-9-5-12-4-3-8(9)11/h3-5,13H,6-7H2,1-2H3,(H2,11,12)
InChIKeyRQJHLTIOGBHSCI-UHFFFAOYSA-N
XLogP1.06
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol (CID 81218518) is 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1cnccc1N.
What is the InChIKey of 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol?
The InChIKey is RQJHLTIOGBHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,6-13)7-14-9-5-12-4-3-8(9)11/h3-5,13H,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol?
3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81218518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).