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

C12H17F3N2 — CID 116534120

IUPAC6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1cccnc1
InChIInChI=1S/C12H17F3N2/c1-10(4-2-6-12(13,14)15)17-9-11-5-3-7-16-8-11/h3,5,7-8,10,17H,2,4,6,9H2,1H3
InChIKeyYNJVLJBZRPMVMX-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.29
Rot. Bonds6

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

6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine (PubChem CID 116534120) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
PubChem CID116534120
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1cccnc1
InChIInChI=1S/C12H17F3N2/c1-10(4-2-6-12(13,14)15)17-9-11-5-3-7-16-8-11/h3,5,7-8,10,17H,2,4,6,9H2,1H3
InChIKeyYNJVLJBZRPMVMX-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534688
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine (CID 116534120) is 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine is CC(CCCC(F)(F)F)NCc1cccnc1.
What is the InChIKey of 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine?
The InChIKey is YNJVLJBZRPMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-10(4-2-6-12(13,14)15)17-9-11-5-3-7-16-8-11/h3,5,7-8,10,17H,2,4,6,9H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine has a molecular weight of 246.28 g/mol, XLogP of 3.29, 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-(pyridin-3-ylmethyl)hexan-2-amine is sourced from PubChem (CID 116534120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).