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

C15H30F3NS — CID 116617741

IUPAC2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNCC(C)C
InChIInChI=1S/C15H30F3NS/c1-5-7-8-14(6-2,12-19-11-13(3)4)9-10-20-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyDXONLDSWKUNYLD-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.46
Rot. Bonds11

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

2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (PubChem CID 116617741) has the molecular formula C15H30F3NS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
PubChem CID116617741
Molecular FormulaC15H30F3NS
Molecular Weight313.47 g/mol
Exact Mass313.21
IUPAC Name2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNCC(C)C
InChIInChI=1S/C15H30F3NS/c1-5-7-8-14(6-2,12-19-11-13(3)4)9-10-20-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyDXONLDSWKUNYLD-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
CID 116617806
2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diol
CID 116628030
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (CID 116617741) is 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is CCCCC(CC)(CCSC(F)(F)F)CNCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The InChIKey is DXONLDSWKUNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NS/c1-5-7-8-14(6-2,12-19-11-13(3)4)9-10-20-15(16,17)18/h13,19H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is sourced from PubChem (CID 116617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).