[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium

C15H22F3N2O+ — CID 58873510

IUPAC[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium
SMILESCCC1CCC(Oc2nc(C(F)(F)F)ccc2C[NH3+])CC1
InChIInChI=1S/C15H21F3N2O/c1-2-10-3-6-12(7-4-10)21-14-11(9-19)5-8-13(20-14)15(16,17)18/h5,8,10,12H,2-4,6-7,9,19H2,1H3/p+1
InChIKeyKDNLFIDSGGUAIY-UHFFFAOYSA-O
MW303.35 g/mol
LogP3.19
Rot. Bonds4

About [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium

[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium (PubChem CID 58873510) has the molecular formula C15H22F3N2O+ and a molecular weight of 303.35 g/mol. Its IUPAC name is [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium.

Molecular Properties

Compound Name[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium
PubChem CID58873510
Molecular FormulaC15H22F3N2O+
Molecular Weight303.35 g/mol
Exact Mass303.17
IUPAC Name[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium
SMILESCCC1CCC(Oc2nc(C(F)(F)F)ccc2C[NH3+])CC1
InChIInChI=1S/C15H21F3N2O/c1-2-10-3-6-12(7-4-10)21-14-11(9-19)5-8-13(20-14)15(16,17)18/h5,8,10,12H,2-4,6-7,9,19H2,1H3/p+1
InChIKeyKDNLFIDSGGUAIY-UHFFFAOYSA-O
XLogP3.19
TPSA49.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium?
The IUPAC name of [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium (CID 58873510) is [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium.
What is the SMILES notation for [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium?
The canonical SMILES for [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium is CCC1CCC(Oc2nc(C(F)(F)F)ccc2C[NH3+])CC1.
What is the InChIKey of [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium?
The InChIKey is KDNLFIDSGGUAIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21F3N2O/c1-2-10-3-6-12(7-4-10)21-14-11(9-19)5-8-13(20-14)15(16,17)18/h5,8,10,12H,2-4,6-7,9,19H2,1H3/p+1.
What are the key properties of [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium?
[2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium has a molecular weight of 303.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylcyclohexyl)oxy-6-(trifluoromethyl)-3-pyridinyl]methylazanium is sourced from PubChem (CID 58873510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).