N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NS — CID 64758290

IUPACN-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-15-7-6-14-9-5-3-2-4-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyRGTWEFYUGXJVLT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.06
Rot. Bonds4

About N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758290) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758290
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-15-7-6-14-9-5-3-2-4-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyRGTWEFYUGXJVLT-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.06
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-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 64758290) is N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine is CSCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RGTWEFYUGXJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-15-7-6-14-9-5-3-2-4-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).