6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol

C12H20N2O — CID 78928516

IUPAC6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)C(C)C)n1
InChIInChI=1S/C12H20N2O/c1-8(2)10(4)13-7-11-12(15)6-5-9(3)14-11/h5-6,8,10,13,15H,7H2,1-4H3
InChIKeyWWCIMMXWLRYSRE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds4

About 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol

6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 78928516) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
PubChem CID78928516
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)C(C)C)n1
InChIInChI=1S/C12H20N2O/c1-8(2)10(4)13-7-11-12(15)6-5-9(3)14-11/h5-6,8,10,13,15H,7H2,1-4H3
InChIKeyWWCIMMXWLRYSRE-UHFFFAOYSA-N
XLogP2.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol (CID 78928516) is 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNC(C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is WWCIMMXWLRYSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)10(4)13-7-11-12(15)6-5-9(3)14-11/h5-6,8,10,13,15H,7H2,1-4H3.
What are the key properties of 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol?
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 208.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 78928516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).