N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine

C13H24F3NS — CID 116615667

IUPACN-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCC(C)CC1(CNCCSC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NS/c1-11(2)9-12(5-3-4-6-12)10-17-7-8-18-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyWSBUWTKVLMRSSJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.44
Rot. Bonds7

About N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 116615667) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID116615667
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCC(C)CC1(CNCCSC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NS/c1-11(2)9-12(5-3-4-6-12)10-17-7-8-18-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyWSBUWTKVLMRSSJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 116615667) is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine is CC(C)CC1(CNCCSC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is WSBUWTKVLMRSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-11(2)9-12(5-3-4-6-12)10-17-7-8-18-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 116615667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).