5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine

C10H20F3NS — CID 115710757

IUPAC5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-8(2)4-5-9(3)14-6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyGJUMICOECQBHKE-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds7

About 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine

5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine (PubChem CID 115710757) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine
PubChem CID115710757
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-8(2)4-5-9(3)14-6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyGJUMICOECQBHKE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine (CID 115710757) is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine is CC(C)CCC(C)NCCSC(F)(F)F.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine?
The InChIKey is GJUMICOECQBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-8(2)4-5-9(3)14-6-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine?
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-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 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-2-amine is sourced from PubChem (CID 115710757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).