2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine

C14H24F3NS — CID 116617909

IUPAC2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C14H24F3NS/c1-10(2)8-18-9-13(3-4-19-14(15,16)17)6-11-5-12(11)7-13/h10-12,18H,3-9H2,1-2H3
InChIKeyJYHJITLMGZKWOW-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.29
Rot. Bonds7

About 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine

2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine (PubChem CID 116617909) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
PubChem CID116617909
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-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C14H24F3NS/c1-10(2)8-18-9-13(3-4-19-14(15,16)17)6-11-5-12(11)7-13/h10-12,18H,3-9H2,1-2H3
InChIKeyJYHJITLMGZKWOW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105653759
N-[(4-tert-butylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106426854
N-[2-(trifluoromethylsulfanyl)ethyl]spiro[4.5]decan-8-amine
CID 106426858
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 113544161
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 113544162
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 113544163
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 113544164
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
2-cyclopentyl-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 113544197
N-[2-cyclopentyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 113544198
1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114223974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine (CID 116617909) is 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine is CC(C)CNCC1(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-1-amine?
The InChIKey is JYHJITLMGZKWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NS/c1-10(2)8-18-9-13(3-4-19-14(15,16)17)6-11-5-12(11)7-13/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine has a molecular weight of 295.41 g/mol, XLogP of 4.29, 7 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-1-amine is sourced from PubChem (CID 116617909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).