[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

C14H26F3NS — CID 116628134

IUPAC[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(CCSC(F)(F)F)C1
InChIInChI=1S/C14H26F3NS/c1-13(2,3)12-5-4-11(9-18)10(8-12)6-7-19-14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyJAGYKKZDNTWQOU-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.67
Rot. Bonds4

About [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116628134) has the molecular formula C14H26F3NS and a molecular weight of 297.43 g/mol. Its IUPAC name is [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116628134
Molecular FormulaC14H26F3NS
Molecular Weight297.43 g/mol
Exact Mass297.17
IUPAC Name[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(CCSC(F)(F)F)C1
InChIInChI=1S/C14H26F3NS/c1-13(2,3)12-5-4-11(9-18)10(8-12)6-7-19-14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyJAGYKKZDNTWQOU-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116628134) is [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(CCSC(F)(F)F)C1.
What is the InChIKey of [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is JAGYKKZDNTWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NS/c1-13(2,3)12-5-4-11(9-18)10(8-12)6-7-19-14(15,16)17/h10-12H,4-9,18H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 297.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).