[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine

C13H20N2O2 — CID 62384187

IUPAC[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(OCC2CCOCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-12(8-14)13(15-10)17-9-11-4-6-16-7-5-11/h2-3,11H,4-9,14H2,1H3
InChIKeyRXCJDRULMBMONJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds4

About [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine

[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine (PubChem CID 62384187) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
PubChem CID62384187
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(OCC2CCOCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-2-3-12(8-14)13(15-10)17-9-11-4-6-16-7-5-11/h2-3,11H,4-9,14H2,1H3
InChIKeyRXCJDRULMBMONJ-UHFFFAOYSA-N
XLogP1.65
TPSA57.37 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine (CID 62384187) is [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine is Cc1ccc(CN)c(OCC2CCOCC2)n1.
What is the InChIKey of [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine?
The InChIKey is RXCJDRULMBMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-2-3-12(8-14)13(15-10)17-9-11-4-6-16-7-5-11/h2-3,11H,4-9,14H2,1H3.
What are the key properties of [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine?
[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62384187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).