2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

C14H28F3NS — CID 116617738

IUPAC2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNC(C)C
InChIInChI=1S/C14H28F3NS/c1-5-7-8-13(6-2,11-18-12(3)4)9-10-19-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyDHIVNEOLHFQYEJ-UHFFFAOYSA-N
MW299.45 g/mol
LogP5.21
Rot. Bonds10

About 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (PubChem CID 116617738) has the molecular formula C14H28F3NS and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
PubChem CID116617738
Molecular FormulaC14H28F3NS
Molecular Weight299.45 g/mol
Exact Mass299.19
IUPAC Name2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNC(C)C
InChIInChI=1S/C14H28F3NS/c1-5-7-8-13(6-2,11-18-12(3)4)9-10-19-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyDHIVNEOLHFQYEJ-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (CID 116617738) is 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is CCCCC(CC)(CCSC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The InChIKey is DHIVNEOLHFQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NS/c1-5-7-8-13(6-2,11-18-12(3)4)9-10-19-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine has a molecular weight of 299.45 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is sourced from PubChem (CID 116617738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).