1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one

C14H21F3N2O — CID 81318584

IUPAC1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(C)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O/c1-3-18-11(2)7-4-5-10-19-12(14(15,16)17)8-6-9-13(19)20/h6,8-9,11,18H,3-5,7,10H2,1-2H3
InChIKeyDAABNSOWVVMXFU-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.04
Rot. Bonds7

About 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one

1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318584) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318584
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(C)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O/c1-3-18-11(2)7-4-5-10-19-12(14(15,16)17)8-6-9-13(19)20/h6,8-9,11,18H,3-5,7,10H2,1-2H3
InChIKeyDAABNSOWVVMXFU-UHFFFAOYSA-N
XLogP3.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318584) is 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one is CCNC(C)CCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is DAABNSOWVVMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-18-11(2)7-4-5-10-19-12(14(15,16)17)8-6-9-13(19)20/h6,8-9,11,18H,3-5,7,10H2,1-2H3.
What are the key properties of 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one?
1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)hexyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).