5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C13H24F3NS — CID 106426987

IUPAC5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCSC(F)(F)F)C1
InChIInChI=1S/C13H24F3NS/c1-9(2)11-5-4-10(3)8-12(11)17-6-7-18-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyITBJCWYMLDQCGX-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.29
Rot. Bonds5

About 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 106426987) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID106426987
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCSC(F)(F)F)C1
InChIInChI=1S/C13H24F3NS/c1-9(2)11-5-4-10(3)8-12(11)17-6-7-18-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyITBJCWYMLDQCGX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.29
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-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 106426987) is 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCC(C(C)C)C(NCCSC(F)(F)F)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is ITBJCWYMLDQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-9(2)11-5-4-10(3)8-12(11)17-6-7-18-13(14,15)16/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106426987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).