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

C14H24F3NS — CID 116617709

IUPACN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H24F3NS/c1-10(2)18-9-13(5-6-19-14(15,16)17)8-11-3-4-12(13)7-11/h10-12,18H,3-9H2,1-2H3
InChIKeyLDKIAEXVZSYZJG-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.43
Rot. Bonds6

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

N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 116617709) has the molecular formula C14H24F3NS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID116617709
Molecular FormulaC14H24F3NS
Molecular Weight295.41 g/mol
Exact Mass295.16
IUPAC NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H24F3NS/c1-10(2)18-9-13(5-6-19-14(15,16)17)8-11-3-4-12(13)7-11/h10-12,18H,3-9H2,1-2H3
InChIKeyLDKIAEXVZSYZJG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 104693929
N-[2-(trifluoromethylsulfanyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 105662977
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 113544161
1,7,7-trimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 114187469
(1R,4S)-1,3,3-trimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 114187492
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615304
1,3,3-trimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 116615583
4-tert-butyl-N-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616684
4-tert-butyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616685
[2-[2-(Trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 116617687
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 116617707
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 116617708

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 116617709) is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)NCC1(CCSC(F)(F)F)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is LDKIAEXVZSYZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NS/c1-10(2)18-9-13(5-6-19-14(15,16)17)8-11-3-4-12(13)7-11/h10-12,18H,3-9H2,1-2H3.
What are the key properties of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 116617709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).