1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

C9H17F3N2S — CID 103778079

IUPAC1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC1CC(NCCSC(F)(F)F)CN1C
InChIInChI=1S/C9H17F3N2S/c1-7-5-8(6-14(7)2)13-3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyXLZIJAYKDCOYAL-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds4

About 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 103778079) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID103778079
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC1CC(NCCSC(F)(F)F)CN1C
InChIInChI=1S/C9H17F3N2S/c1-7-5-8(6-14(7)2)13-3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyXLZIJAYKDCOYAL-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 103778079) is 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is CC1CC(NCCSC(F)(F)F)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is XLZIJAYKDCOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-5-8(6-14(7)2)13-3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine has a molecular weight of 242.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103778079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).