2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C15H26F3NS — CID 116617712

IUPAC2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NS/c1-11(2)9-19-10-14(5-6-20-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3
InChIKeyYUNCMPJMIHFKEP-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.68
Rot. Bonds7

About 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 116617712) has the molecular formula C15H26F3NS and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID116617712
Molecular FormulaC15H26F3NS
Molecular Weight309.44 g/mol
Exact Mass309.17
IUPAC Name2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NS/c1-11(2)9-19-10-14(5-6-20-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3
InChIKeyYUNCMPJMIHFKEP-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 116617712) is 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CC(C)CNCC1(CCSC(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is YUNCMPJMIHFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NS/c1-11(2)9-19-10-14(5-6-20-15(16,17)18)8-12-3-4-13(14)7-12/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 309.44 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 116617712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).