2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C11H20F3NS — CID 116615575

IUPAC2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCSC(F)(F)F)C(C)C1
InChIInChI=1S/C11H20F3NS/c1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyHPGGAJFPBOPHJW-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.65
Rot. Bonds4

About 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116615575) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116615575
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCSC(F)(F)F)C(C)C1
InChIInChI=1S/C11H20F3NS/c1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyHPGGAJFPBOPHJW-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
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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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-(1,1-Difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
CID 176942873
2,6-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43176264
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730655
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129690

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116615575) is 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCC(NCCSC(F)(F)F)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is HPGGAJFPBOPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116615575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).