N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C10H20F3NS — CID 116616706

IUPACN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CC)C(C)CCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-4-9(14-5-2)8(3)6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyMLOLIUCLFJVZKK-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine

N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616706) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616706
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC NameN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CC)C(C)CCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-4-9(14-5-2)8(3)6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyMLOLIUCLFJVZKK-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616706) is N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CCNC(CC)C(C)CCSC(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is MLOLIUCLFJVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-4-9(14-5-2)8(3)6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 243.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).