5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine

C13H24F3NS2 — CID 115517593

IUPAC5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1SCCSC1C
InChIInChI=1S/C13H24F3NS2/c1-3-7-17-11(5-4-6-13(14,15)16)12-10(2)18-8-9-19-12/h10-12,17H,3-9H2,1-2H3
InChIKeyUBWWGJPTLJXUSG-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.32
Rot. Bonds7

About 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine (PubChem CID 115517593) has the molecular formula C13H24F3NS2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
PubChem CID115517593
Molecular FormulaC13H24F3NS2
Molecular Weight315.47 g/mol
Exact Mass315.13
IUPAC Name5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1SCCSC1C
InChIInChI=1S/C13H24F3NS2/c1-3-7-17-11(5-4-6-13(14,15)16)12-10(2)18-8-9-19-12/h10-12,17H,3-9H2,1-2H3
InChIKeyUBWWGJPTLJXUSG-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517599
[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
CID 105259546
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
1-(3-bicyclo[3.1.0]hexanyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023867
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
1-(3-ethyl-1,4-dithian-2-yl)-N-propylheptan-1-amine
CID 115388185
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
CID 105259521
N-ethyl-4-methoxy-1-(3-methyl-1,4-dithian-2-yl)butan-1-amine
CID 114856760
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
3-methyl-1-(3-methyl-1,4-dithian-2-yl)-N-propylbut-2-en-1-amine
CID 115387324

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine (CID 115517593) is 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1SCCSC1C.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine?
The InChIKey is UBWWGJPTLJXUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS2/c1-3-7-17-11(5-4-6-13(14,15)16)12-10(2)18-8-9-19-12/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine has a molecular weight of 315.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 115517593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).