1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine

C15H23F3N2 — CID 79954795

IUPAC1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(CC)cn1
InChIInChI=1S/C15H23F3N2/c1-3-9-19-14(7-8-15(16,17)18)10-13-6-5-12(4-2)11-20-13/h5-6,11,14,19H,3-4,7-10H2,1-2H3
InChIKeyLUKHJILANCLHQU-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.90
Rot. Bonds8

About 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 79954795) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID79954795
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccc(CC)cn1
InChIInChI=1S/C15H23F3N2/c1-3-9-19-14(7-8-15(16,17)18)10-13-6-5-12(4-2)11-20-13/h5-6,11,14,19H,3-4,7-10H2,1-2H3
InChIKeyLUKHJILANCLHQU-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 105014705
1-(5-ethyl-2-pyridinyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105169027
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105168927
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
CID 105168889
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 79954795) is 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ccc(CC)cn1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is LUKHJILANCLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-3-9-19-14(7-8-15(16,17)18)10-13-6-5-12(4-2)11-20-13/h5-6,11,14,19H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 288.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 79954795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).