6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol

C12H22N2O3 — CID 23154314

IUPAC6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol
SMILESCC(C)(C)NCC1(CO)C=CC(O)=C(CO)N1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)13-7-12(8-16)5-4-10(17)9(6-15)14-12/h4-5,13-17H,6-8H2,1-3H3
InChIKeyWOMAXPJCOSQWME-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.03
Rot. Bonds4

About 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol

6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol (PubChem CID 23154314) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol
PubChem CID23154314
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol
SMILESCC(C)(C)NCC1(CO)C=CC(O)=C(CO)N1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)13-7-12(8-16)5-4-10(17)9(6-15)14-12/h4-5,13-17H,6-8H2,1-3H3
InChIKeyWOMAXPJCOSQWME-UHFFFAOYSA-N
XLogP0.03
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol?
The IUPAC name of 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol (CID 23154314) is 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol?
The canonical SMILES for 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol is CC(C)(C)NCC1(CO)C=CC(O)=C(CO)N1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol?
The InChIKey is WOMAXPJCOSQWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)13-7-12(8-16)5-4-10(17)9(6-15)14-12/h4-5,13-17H,6-8H2,1-3H3.
What are the key properties of 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol?
6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-2,6-bis(hydroxymethyl)-1H-pyridin-3-ol is sourced from PubChem (CID 23154314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).