6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol

C13H22N2O — CID 82977420

IUPAC6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
SMILESCCCN(Cc1nc(C)ccc1O)C(C)C
InChIInChI=1S/C13H22N2O/c1-5-8-15(10(2)3)9-12-13(16)7-6-11(4)14-12/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyFJMZEUWXJQWWEG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds5

About 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol

6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol (PubChem CID 82977420) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
PubChem CID82977420
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
SMILESCCCN(Cc1nc(C)ccc1O)C(C)C
InChIInChI=1S/C13H22N2O/c1-5-8-15(10(2)3)9-12-13(16)7-6-11(4)14-12/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyFJMZEUWXJQWWEG-UHFFFAOYSA-N
XLogP2.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol (CID 82977420) is 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol is CCCN(Cc1nc(C)ccc1O)C(C)C.
What is the InChIKey of 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol?
The InChIKey is FJMZEUWXJQWWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-8-15(10(2)3)9-12-13(16)7-6-11(4)14-12/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol?
6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol has a molecular weight of 222.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 82977420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).