2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine

C14H26F3NS — CID 116617721

IUPAC2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NS/c1-12(2)10-18-11-13(6-4-3-5-7-13)8-9-19-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyZCMUOIHQKDVREA-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.83
Rot. Bonds7

About 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 116617721) has the molecular formula C14H26F3NS and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID116617721
Molecular FormulaC14H26F3NS
Molecular Weight297.43 g/mol
Exact Mass297.17
IUPAC Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NS/c1-12(2)10-18-11-13(6-4-3-5-7-13)8-9-19-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyZCMUOIHQKDVREA-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine (CID 116617721) is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1(CCSC(F)(F)F)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is ZCMUOIHQKDVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NS/c1-12(2)10-18-11-13(6-4-3-5-7-13)8-9-19-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 116617721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).