5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine

C12H18N2O — CID 103932319

IUPAC5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine
SMILESCc1cncc(NC2CCOC(C)C2)c1
InChIInChI=1S/C12H18N2O/c1-9-5-12(8-13-7-9)14-11-3-4-15-10(2)6-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3
InChIKeyLNBHGBBUENJJBE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.37
Rot. Bonds2

About 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine

5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine (PubChem CID 103932319) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine
PubChem CID103932319
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine
SMILESCc1cncc(NC2CCOC(C)C2)c1
InChIInChI=1S/C12H18N2O/c1-9-5-12(8-13-7-9)14-11-3-4-15-10(2)6-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3
InChIKeyLNBHGBBUENJJBE-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine?
The IUPAC name of 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine (CID 103932319) is 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine?
The canonical SMILES for 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine is Cc1cncc(NC2CCOC(C)C2)c1.
What is the InChIKey of 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine?
The InChIKey is LNBHGBBUENJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-12(8-13-7-9)14-11-3-4-15-10(2)6-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3.
What are the key properties of 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine?
5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 103932319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).