1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C9H16F3NS — CID 103778134

IUPAC1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1(C)CC1
InChIInChI=1S/C9H16F3NS/c1-7(8(2)3-4-8)13-5-6-14-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyRCVCHMZEHITNSI-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.02
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 103778134) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID103778134
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1(C)CC1
InChIInChI=1S/C9H16F3NS/c1-7(8(2)3-4-8)13-5-6-14-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyRCVCHMZEHITNSI-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 103778134) is 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is RCVCHMZEHITNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-7(8(2)3-4-8)13-5-6-14-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 227.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 103778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).