2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C13H24F3NS — CID 106426885

IUPAC2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-12(2,3)10-6-4-5-7-11(10)17-8-9-18-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyNXQCFOBTJLXKCN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.43
Rot. Bonds4

About 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 106426885) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID106426885
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-12(2,3)10-6-4-5-7-11(10)17-8-9-18-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyNXQCFOBTJLXKCN-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.43
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 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 106426885) is 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCCSC(F)(F)F.
What is the InChIKey of 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is NXQCFOBTJLXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-12(2,3)10-6-4-5-7-11(10)17-8-9-18-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106426885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).