4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine

C12H24F3NS — CID 116616699

IUPAC4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCNC(C)C(CCSC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NS/c1-5-7-16-10(4)11(9(2)3)6-8-17-12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyQSDHBYJLGKHODC-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.29
Rot. Bonds8

About 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine

4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine (PubChem CID 116616699) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
PubChem CID116616699
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCNC(C)C(CCSC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NS/c1-5-7-16-10(4)11(9(2)3)6-8-17-12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyQSDHBYJLGKHODC-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616698
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627257
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768
1-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 107859179
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651
2-[2-(trifluoromethylsulfanyl)ethylamino]pentanoic acid
CID 116616739
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
3-(bromomethyl)-1-(trifluoromethylsulfanyl)hexane
CID 116627967
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine (CID 116616699) is 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine is CCCNC(C)C(CCSC(F)(F)F)C(C)C.
What is the InChIKey of 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The InChIKey is QSDHBYJLGKHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-5-7-16-10(4)11(9(2)3)6-8-17-12(13,14)15/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine is sourced from PubChem (CID 116616699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).