6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine

C13H19F3N2 — CID 116534097

IUPAC6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1cccnc1
InChIInChI=1S/C13H19F3N2/c1-10(5-3-7-13(14,15)16)18-11(2)12-6-4-8-17-9-12/h4,6,8-11,18H,3,5,7H2,1-2H3
InChIKeyVJZWMSPMLJSPIH-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.85
Rot. Bonds6

About 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine

6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine (PubChem CID 116534097) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
PubChem CID116534097
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1cccnc1
InChIInChI=1S/C13H19F3N2/c1-10(5-3-7-13(14,15)16)18-11(2)12-6-4-8-17-9-12/h4,6,8-11,18H,3,5,7H2,1-2H3
InChIKeyVJZWMSPMLJSPIH-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine (CID 116534097) is 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine is CC(CCCC(F)(F)F)NC(C)c1cccnc1.
What is the InChIKey of 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine?
The InChIKey is VJZWMSPMLJSPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10(5-3-7-13(14,15)16)18-11(2)12-6-4-8-17-9-12/h4,6,8-11,18H,3,5,7H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine?
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine has a molecular weight of 260.30 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine is sourced from PubChem (CID 116534097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).