N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine

C13H20N2O2 — CID 79150869

IUPACN-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OC1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-13(12(15-10)9-14-2)17-11-5-7-16-8-6-11/h3-4,11,14H,5-9H2,1-2H3
InChIKeySQBLMKHBUXNRQF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds4

About N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine

N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine (PubChem CID 79150869) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
PubChem CID79150869
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OC1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-13(12(15-10)9-14-2)17-11-5-7-16-8-6-11/h3-4,11,14H,5-9H2,1-2H3
InChIKeySQBLMKHBUXNRQF-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine (CID 79150869) is N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine is CNCc1nc(C)ccc1OC1CCOCC1.
What is the InChIKey of N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The InChIKey is SQBLMKHBUXNRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-4-13(12(15-10)9-14-2)17-11-5-7-16-8-6-11/h3-4,11,14H,5-9H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 79150869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).