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

C13H20N2O — CID 104824119

IUPACN-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1ccc(C)nc1
InChIInChI=1S/C13H20N2O/c1-10-5-6-12(9-15-10)13-11(8-14-2)4-3-7-16-13/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3
InChIKeyAPMIPDRFJNXNBE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds3

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

N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine (PubChem CID 104824119) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
PubChem CID104824119
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1ccc(C)nc1
InChIInChI=1S/C13H20N2O/c1-10-5-6-12(9-15-10)13-11(8-14-2)4-3-7-16-13/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3
InChIKeyAPMIPDRFJNXNBE-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine (CID 104824119) is N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine is CNCC1CCCOC1c1ccc(C)nc1.
What is the InChIKey of N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine?
The InChIKey is APMIPDRFJNXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-12(9-15-10)13-11(8-14-2)4-3-7-16-13/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine?
N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine is sourced from PubChem (CID 104824119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).