N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H20N2O2 — CID 82893003

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc(C)nc(CNC2CC3CCC2O3)c1
InChIInChI=1S/C14H20N2O2/c1-9-5-12(17-2)6-10(16-9)8-15-13-7-11-3-4-14(13)18-11/h5-6,11,13-15H,3-4,7-8H2,1-2H3
InChIKeyCRQMTJJRHDLNQG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds4

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 82893003) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID82893003
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOc1cc(C)nc(CNC2CC3CCC2O3)c1
InChIInChI=1S/C14H20N2O2/c1-9-5-12(17-2)6-10(16-9)8-15-13-7-11-3-4-14(13)18-11/h5-6,11,13-15H,3-4,7-8H2,1-2H3
InChIKeyCRQMTJJRHDLNQG-UHFFFAOYSA-N
XLogP1.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylcyclopropan-1-amine
CID 103933083
2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82893078
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-amine
CID 114545775
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365284
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601527
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601911
N-[(2-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601611
N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602288
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80714508

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 82893003) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is COc1cc(C)nc(CNC2CC3CCC2O3)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is CRQMTJJRHDLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-12(17-2)6-10(16-9)8-15-13-7-11-3-4-14(13)18-11/h5-6,11,13-15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 82893003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).