N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine

C8H17F3N2S — CID 103366444

IUPACN'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCSCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2S/c1-13(3-4-14-2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyOZIXJMGHUXHHOX-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.42
Rot. Bonds6

About N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine

N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366444) has the molecular formula C8H17F3N2S and a molecular weight of 230.30 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366444
Molecular FormulaC8H17F3N2S
Molecular Weight230.30 g/mol
Exact Mass230.11
IUPAC NameN'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCSCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2S/c1-13(3-4-14-2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyOZIXJMGHUXHHOX-UHFFFAOYSA-N
XLogP1.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366444) is N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine is CSCCN(C)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is OZIXJMGHUXHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2S/c1-13(3-4-14-2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 230.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylsulfanylethyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).