3-(5-methyl-3-pyridinyl)oxan-3-amine

C11H16N2O — CID 115373854

IUPAC3-(5-methyl-3-pyridinyl)oxan-3-amine
SMILESCc1cncc(C2(N)CCCOC2)c1
InChIInChI=1S/C11H16N2O/c1-9-5-10(7-13-6-9)11(12)3-2-4-14-8-11/h5-7H,2-4,8,12H2,1H3
InChIKeyJZLPTBOFVLKGFJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.35
Rot. Bonds1

About 3-(5-methyl-3-pyridinyl)oxan-3-amine

3-(5-methyl-3-pyridinyl)oxan-3-amine (PubChem CID 115373854) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)oxan-3-amine.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)oxan-3-amine
PubChem CID115373854
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(5-methyl-3-pyridinyl)oxan-3-amine
SMILESCc1cncc(C2(N)CCCOC2)c1
InChIInChI=1S/C11H16N2O/c1-9-5-10(7-13-6-9)11(12)3-2-4-14-8-11/h5-7H,2-4,8,12H2,1H3
InChIKeyJZLPTBOFVLKGFJ-UHFFFAOYSA-N
XLogP1.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)oxan-3-amine?
The IUPAC name of 3-(5-methyl-3-pyridinyl)oxan-3-amine (CID 115373854) is 3-(5-methyl-3-pyridinyl)oxan-3-amine.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)oxan-3-amine?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)oxan-3-amine is Cc1cncc(C2(N)CCCOC2)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)oxan-3-amine?
The InChIKey is JZLPTBOFVLKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-5-10(7-13-6-9)11(12)3-2-4-14-8-11/h5-7H,2-4,8,12H2,1H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)oxan-3-amine?
3-(5-methyl-3-pyridinyl)oxan-3-amine has a molecular weight of 192.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)oxan-3-amine is sourced from PubChem (CID 115373854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).