4-(aminomethyl)-6-tert-butylpyridin-3-ol

C10H16N2O — CID 12634261

IUPAC4-(aminomethyl)-6-tert-butylpyridin-3-ol
SMILESCC(C)(C)c1cc(CN)c(O)cn1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-4-7(5-11)8(13)6-12-9/h4,6,13H,5,11H2,1-3H3
InChIKeyZISMCQFHCNCWFL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.54
Rot. Bonds1

About 4-(aminomethyl)-6-tert-butylpyridin-3-ol

4-(aminomethyl)-6-tert-butylpyridin-3-ol (PubChem CID 12634261) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(aminomethyl)-6-tert-butylpyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-tert-butylpyridin-3-ol
PubChem CID12634261
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(aminomethyl)-6-tert-butylpyridin-3-ol
SMILESCC(C)(C)c1cc(CN)c(O)cn1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-4-7(5-11)8(13)6-12-9/h4,6,13H,5,11H2,1-3H3
InChIKeyZISMCQFHCNCWFL-UHFFFAOYSA-N
XLogP1.54
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-tert-butylpyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-6-tert-butylpyridin-3-ol (CID 12634261) is 4-(aminomethyl)-6-tert-butylpyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-6-tert-butylpyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-6-tert-butylpyridin-3-ol is CC(C)(C)c1cc(CN)c(O)cn1.
What is the InChIKey of 4-(aminomethyl)-6-tert-butylpyridin-3-ol?
The InChIKey is ZISMCQFHCNCWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)9-4-7(5-11)8(13)6-12-9/h4,6,13H,5,11H2,1-3H3.
What are the key properties of 4-(aminomethyl)-6-tert-butylpyridin-3-ol?
4-(aminomethyl)-6-tert-butylpyridin-3-ol has a molecular weight of 180.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-tert-butylpyridin-3-ol is sourced from PubChem (CID 12634261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).