N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine

C10H20F3NS — CID 116627257

IUPACN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCCNC(C)CC(C)CCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-4-14-9(3)7-8(2)5-6-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyPEATVJOCSWCPLF-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine

N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine (PubChem CID 116627257) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
PubChem CID116627257
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC NameN-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCCNC(C)CC(C)CCSC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-4-14-9(3)7-8(2)5-6-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyPEATVJOCSWCPLF-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616698
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616699
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
5-(ethylamino)hexan-3-ol
CID 140740980
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768
N-ethyl-4,6-dimethylhept-6-en-2-amine
CID 79186327

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine (CID 116627257) is N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine is CCNC(C)CC(C)CCSC(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The InChIKey is PEATVJOCSWCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-4-14-9(3)7-8(2)5-6-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine is sourced from PubChem (CID 116627257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).