2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine

C13H24F3NS — CID 116617726

IUPAC2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NS/c1-11(2,3)17-10-12(6-4-5-7-12)8-9-18-13(14,15)16/h17H,4-10H2,1-3H3
InChIKeyRDMWIIRMKKXVHH-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.58
Rot. Bonds5

About 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 116617726) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
PubChem CID116617726
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C13H24F3NS/c1-11(2,3)17-10-12(6-4-5-7-12)8-9-18-13(14,15)16/h17H,4-10H2,1-3H3
InChIKeyRDMWIIRMKKXVHH-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103698656
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103778164
3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 104531021
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156297
4,4,4-trifluoro-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105156482
N-[(1-methylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105653759
N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105695397
N-[(1-ethylcyclobutyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105754056
1,1-difluoro-N-[(1-methylsulfanylcyclopentyl)methyl]propan-2-amine
CID 105814467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine (CID 116617726) is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine is CC(C)(C)NCC1(CCSC(F)(F)F)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is RDMWIIRMKKXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-11(2,3)17-10-12(6-4-5-7-12)8-9-18-13(14,15)16/h17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 116617726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).