N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine

C10H19F3N2S — CID 107173387

IUPACN-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
SMILESCN(CCSC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C10H19F3N2S/c1-15(7-8-16-10(11,12)13)9-3-2-5-14-6-4-9/h9,14H,2-8H2,1H3
InChIKeyAUUUQSRLEOTYIJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine

N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine (PubChem CID 107173387) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
PubChem CID107173387
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
SMILESCN(CCSC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C10H19F3N2S/c1-15(7-8-16-10(11,12)13)9-3-2-5-14-6-4-9/h9,14H,2-8H2,1H3
InChIKeyAUUUQSRLEOTYIJ-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
CID 107173356
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine (CID 107173387) is N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine is CN(CCSC(F)(F)F)C1CCCNCC1.
What is the InChIKey of N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine?
The InChIKey is AUUUQSRLEOTYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15(7-8-16-10(11,12)13)9-3-2-5-14-6-4-9/h9,14H,2-8H2,1H3.
What are the key properties of N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine?
N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine is sourced from PubChem (CID 107173387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).