N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C10H20F3NS — CID 116616638

IUPACN,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H20F3NS/c1-9(2,3)8(14-4)6-5-7-15-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMGDJUWVANPDRGM-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds5

About N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine

N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616638) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616638
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC NameN,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H20F3NS/c1-9(2,3)8(14-4)6-5-7-15-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMGDJUWVANPDRGM-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616638) is N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CNC(CCCSC(F)(F)F)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is MGDJUWVANPDRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-9(2,3)8(14-4)6-5-7-15-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 243.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).