N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine

C13H20N2O — CID 62288244

IUPACN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
SMILESC=CCOc1nc(C)cc(C)c1CNCC
InChIInChI=1S/C13H20N2O/c1-5-7-16-13-12(9-14-6-2)10(3)8-11(4)15-13/h5,8,14H,1,6-7,9H2,2-4H3
InChIKeyLJOZLBIQNHZHQX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds6

About N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine

N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 62288244) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
PubChem CID62288244
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
SMILESC=CCOc1nc(C)cc(C)c1CNCC
InChIInChI=1S/C13H20N2O/c1-5-7-16-13-12(9-14-6-2)10(3)8-11(4)15-13/h5,8,14H,1,6-7,9H2,2-4H3
InChIKeyLJOZLBIQNHZHQX-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 76938399
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62288248
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
CID 55058277
N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62292538
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 62287173
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
CID 62292298
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
2,6-dimethyl-4-prop-2-enoxypyridine
CID 119093148
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine (CID 62288244) is N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine is C=CCOc1nc(C)cc(C)c1CNCC.
What is the InChIKey of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is LJOZLBIQNHZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-7-16-13-12(9-14-6-2)10(3)8-11(4)15-13/h5,8,14H,1,6-7,9H2,2-4H3.
What are the key properties of N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).