N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

C10H18F3NS — CID 107418282

IUPACN-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCC1CCCC1CNCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8-3-2-4-9(8)7-14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVOAMOXSWPUDYIN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 107418282) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID107418282
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCC1CCCC1CNCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8-3-2-4-9(8)7-14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVOAMOXSWPUDYIN-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.27
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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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
3-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine
CID 102905520
3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103578399
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103698656
1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 103778092
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103778164
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 103920476
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
2,2,2-trifluoro-N-[(1-methylsulfanylcyclopentyl)methyl]ethanamine
CID 105819857
2,2-difluoro-N-[(1-methylsulfanylcyclopentyl)methyl]ethanamine
CID 105819872

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 107418282) is N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is CC1CCCC1CNCCSC(F)(F)F.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is VOAMOXSWPUDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8-3-2-4-9(8)7-14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 241.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 107418282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).