N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine

C11H22F3NS — CID 116616698

IUPACN-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
SMILESCCNC(C)C(CCSC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(4)10(8(2)3)6-7-16-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyHAWCEMOTNKWTAV-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.90
Rot. Bonds7

About N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine

N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine (PubChem CID 116616698) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
PubChem CID116616698
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
SMILESCCNC(C)C(CCSC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(4)10(8(2)3)6-7-16-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyHAWCEMOTNKWTAV-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616699
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627257
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639
3-(2-ethoxyethyl)-N-ethyl-4-methylpentan-2-amine
CID 62915827
N-ethyl-3-propan-2-ylnonan-2-amine
CID 63401515
N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine
CID 62913822
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
3-[2-(trifluoromethylsulfanyl)ethylamino]pentan-1-ol
CID 116615811
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine (CID 116616698) is N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine is CCNC(C)C(CCSC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
The InChIKey is HAWCEMOTNKWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-5-15-9(4)10(8(2)3)6-7-16-11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine?
N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.90, 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-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine is sourced from PubChem (CID 116616698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).