N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C10H16F3NS — CID 115710731

IUPACN-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNC(C1CC1)C1CC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-6-5-14-9(7-1-2-7)8-3-4-8/h7-9,14H,1-6H2
InChIKeyQAGAUSNBUAAUHS-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.02
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 115710731) has the molecular formula C10H16F3NS and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID115710731
Molecular FormulaC10H16F3NS
Molecular Weight239.31 g/mol
Exact Mass239.10
IUPAC NameN-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNC(C1CC1)C1CC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-6-5-14-9(7-1-2-7)8-3-4-8/h7-9,14H,1-6H2
InChIKeyQAGAUSNBUAAUHS-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
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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Related Compounds

2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 62577333
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 63115703
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651
1-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 107859179
3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 106010724
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
N-(dicyclopropylmethyl)-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 61068047

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 115710731) is N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SCCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is QAGAUSNBUAAUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NS/c11-10(12,13)15-6-5-14-9(7-1-2-7)8-3-4-8/h7-9,14H,1-6H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 115710731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).