5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine

C13H20N2O2 — CID 106660284

IUPAC5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NC(C)C1CCCO1
InChIInChI=1S/C13H20N2O2/c1-9-7-11(13(16-3)8-14-9)15-10(2)12-5-4-6-17-12/h7-8,10,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyJGSIEISFVMXHGG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.38
Rot. Bonds4

About 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine

5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine (PubChem CID 106660284) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
PubChem CID106660284
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NC(C)C1CCCO1
InChIInChI=1S/C13H20N2O2/c1-9-7-11(13(16-3)8-14-9)15-10(2)12-5-4-6-17-12/h7-8,10,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyJGSIEISFVMXHGG-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine (CID 106660284) is 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine is COc1cnc(C)cc1NC(C)C1CCCO1.
What is the InChIKey of 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine?
The InChIKey is JGSIEISFVMXHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-11(13(16-3)8-14-9)15-10(2)12-5-4-6-17-12/h7-8,10,12H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine?
5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine has a molecular weight of 236.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 106660284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).