2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

C14H24F3NS — CID 116617908

IUPAC2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C14H24F3NS/c1-12(2,3)18-9-13(4-5-19-14(15,16)17)7-10-6-11(10)8-13/h10-11,18H,4-9H2,1-3H3
InChIKeyQTFUWJYZHPRYTL-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.43
Rot. Bonds5

About 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine

2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (PubChem CID 116617908) has the molecular formula C14H24F3NS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
PubChem CID116617908
Molecular FormulaC14H24F3NS
Molecular Weight295.41 g/mol
Exact Mass295.16
IUPAC Name2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C14H24F3NS/c1-12(2,3)18-9-13(4-5-19-14(15,16)17)7-10-6-11(10)8-13/h10-11,18H,4-9H2,1-3H3
InChIKeyQTFUWJYZHPRYTL-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]spiro[4.5]decan-8-amine
CID 106426858
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 113544162
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 113544163
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 113544166
N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 113544190
N-tert-butyl-2-cyclopropyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 113544194
N-[2-cyclopentyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 113544198
1-(3,3-difluorocyclopentyl)-3-methyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 114225728
1-(3,3-difluorocyclohexyl)-N-ethyl-3-methyl-4-methylsulfanylbutan-2-amine
CID 114225843
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615667
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 116617709
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 116617710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine (CID 116617908) is 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is CC(C)(C)NCC1(CCSC(F)(F)F)CC2CC2C1.
What is the InChIKey of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
The InChIKey is QTFUWJYZHPRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NS/c1-12(2,3)18-9-13(4-5-19-14(15,16)17)7-10-6-11(10)8-13/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine?
2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine is sourced from PubChem (CID 116617908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).