N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NS — CID 64758494

IUPACN-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCC(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-9(8-17-2)7-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyOQBKGQNRATVUDT-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.70
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758494) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758494
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCC(C)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-9(8-17-2)7-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyOQBKGQNRATVUDT-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 64758494) is N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is CSCC(C)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OQBKGQNRATVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-9(8-17-2)7-16-11-6-4-3-5-10(11)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).