5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine

C11H15F3N2 — CID 115516357

IUPAC5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cccnc1
InChIInChI=1S/C11H15F3N2/c1-15-10(5-2-6-11(12,13)14)9-4-3-7-16-8-9/h3-4,7-8,10,15H,2,5-6H2,1H3
InChIKeyCYEMDBOJXRMJPM-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.07
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine

5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine (PubChem CID 115516357) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
PubChem CID115516357
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cccnc1
InChIInChI=1S/C11H15F3N2/c1-15-10(5-2-6-11(12,13)14)9-4-3-7-16-8-9/h3-4,7-8,10,15H,2,5-6H2,1H3
InChIKeyCYEMDBOJXRMJPM-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
3-(methylamino)-3-pyridin-3-ylpropane-1-thiol
CID 116831467
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine (CID 115516357) is 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine is CNC(CCCC(F)(F)F)c1cccnc1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine?
The InChIKey is CYEMDBOJXRMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-15-10(5-2-6-11(12,13)14)9-4-3-7-16-8-9/h3-4,7-8,10,15H,2,5-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine?
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine has a molecular weight of 232.25 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine is sourced from PubChem (CID 115516357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).