5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine

C13H20F3NS — CID 105023949

IUPAC5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1C
InChIInChI=1S/C13H20F3NS/c1-3-8-17-11(5-4-7-13(14,15)16)12-10(2)6-9-18-12/h6,9,11,17H,3-5,7-8H2,1-2H3
InChIKeyKKHNQMGKJXMANV-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.83
Rot. Bonds7

About 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine (PubChem CID 105023949) has the molecular formula C13H20F3NS and a molecular weight of 279.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
PubChem CID105023949
Molecular FormulaC13H20F3NS
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1C
InChIInChI=1S/C13H20F3NS/c1-3-8-17-11(5-4-7-13(14,15)16)12-10(2)6-9-18-12/h6,9,11,17H,3-5,7-8H2,1-2H3
InChIKeyKKHNQMGKJXMANV-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(3,5-dimethylthiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 81156173
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine (CID 105023949) is 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1sccc1C.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The InChIKey is KKHNQMGKJXMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NS/c1-3-8-17-11(5-4-7-13(14,15)16)12-10(2)6-9-18-12/h6,9,11,17H,3-5,7-8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105023949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).