N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine

C8H17F3N2S — CID 116615333

IUPACN',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCSC(F)(F)F
InChIInChI=1S/C8H17F3N2S/c1-13(2)6-3-4-12-5-7-14-8(9,10)11/h12H,3-7H2,1-2H3
InChIKeyJJUIDYLFNCWKRH-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.78
Rot. Bonds7

About N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine (PubChem CID 116615333) has the molecular formula C8H17F3N2S and a molecular weight of 230.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
PubChem CID116615333
Molecular FormulaC8H17F3N2S
Molecular Weight230.30 g/mol
Exact Mass230.11
IUPAC NameN',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCSC(F)(F)F
InChIInChI=1S/C8H17F3N2S/c1-13(2)6-3-4-12-5-7-14-8(9,10)11/h12H,3-7H2,1-2H3
InChIKeyJJUIDYLFNCWKRH-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
N',N'-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]propane-1,3-diamine
CID 60686767

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine (CID 116615333) is N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine is CN(C)CCCNCCSC(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine?
The InChIKey is JJUIDYLFNCWKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2S/c1-13(2)6-3-4-12-5-7-14-8(9,10)11/h12H,3-7H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine has a molecular weight of 230.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 116615333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).