1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine

C10H18F3NS — CID 116615574

IUPAC1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
SMILESCCC(CC1CC1)NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-9(7-8-3-4-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXGKSXBRFUJAYLB-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds7

About 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine

1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine (PubChem CID 116615574) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
PubChem CID116615574
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
SMILESCCC(CC1CC1)NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-9(7-8-3-4-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXGKSXBRFUJAYLB-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
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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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-(1,1-Difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
CID 176942873
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
1-cyclopropyl-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 63993752
1-cyclopropyl-N-(2,2-difluoroethyl)butan-2-amine
CID 63994742
1-cyclopropyl-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 64553359
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine (CID 116615574) is 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine is CCC(CC1CC1)NCCSC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine?
The InChIKey is XGKSXBRFUJAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-9(7-8-3-4-8)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine?
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine is sourced from PubChem (CID 116615574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).