N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H24F3NS — CID 104844764

IUPACN-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCSCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NS/c1-3-18-9-8-10(2)17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyRKCCODPHLZXXNG-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.23
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844764) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844764
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCSCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NS/c1-3-18-9-8-10(2)17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyRKCCODPHLZXXNG-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.23
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-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844764) is N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCSCCC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RKCCODPHLZXXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-3-18-9-8-10(2)17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).