N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine

C13H20N2O2 — CID 91660937

IUPACN-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
SMILESCOC1(CNc2cccc(C)n2)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(15-11)14-10-13(16-2)6-8-17-9-7-13/h3-5H,6-10H2,1-2H3,(H,14,15)
InChIKeyBMBNYAZEUVZFGJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.00
Rot. Bonds4

About N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine

N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine (PubChem CID 91660937) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
PubChem CID91660937
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
SMILESCOC1(CNc2cccc(C)n2)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(15-11)14-10-13(16-2)6-8-17-9-7-13/h3-5H,6-10H2,1-2H3,(H,14,15)
InChIKeyBMBNYAZEUVZFGJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine (CID 91660937) is N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine is COC1(CNc2cccc(C)n2)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine?
The InChIKey is BMBNYAZEUVZFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-3-5-12(15-11)14-10-13(16-2)6-8-17-9-7-13/h3-5H,6-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine?
N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine has a molecular weight of 236.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 91660937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).