ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine

C14H23F3N2O — CID 178028055

IUPACethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
SMILESC=C(c1ccc(C(F)(F)F)nc1)N(C)OC.CC.CC
InChIInChI=1S/C10H11F3N2O.2C2H6/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3
InChIKeyIBYAEQOUGMXWSH-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.62
Rot. Bonds3

About ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine

ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine (PubChem CID 178028055) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine.

Molecular Properties

Compound Nameethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
PubChem CID178028055
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Nameethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
SMILESC=C(c1ccc(C(F)(F)F)nc1)N(C)OC.CC.CC
InChIInChI=1S/C10H11F3N2O.2C2H6/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3
InChIKeyIBYAEQOUGMXWSH-UHFFFAOYSA-N
XLogP4.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The IUPAC name of ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine (CID 178028055) is ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine.
What is the SMILES notation for ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The canonical SMILES for ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine is C=C(c1ccc(C(F)(F)F)nc1)N(C)OC.CC.CC.
What is the InChIKey of ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
The InChIKey is IBYAEQOUGMXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.2C2H6/c1-7(15(2)16-3)8-4-5-9(14-6-8)10(11,12)13;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine?
ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine has a molecular weight of 292.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine is sourced from PubChem (CID 178028055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).