N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine

C10H19F3N2S — CID 105416634

IUPACN,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCSC(F)(F)F)CCC1
InChIInChI=1S/C10H19F3N2S/c1-15(2)9(4-3-5-9)8-14-6-7-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyQFEJWXUUNFIOIU-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds6

About N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 105416634) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID105416634
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCSC(F)(F)F)CCC1
InChIInChI=1S/C10H19F3N2S/c1-15(2)9(4-3-5-9)8-14-6-7-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyQFEJWXUUNFIOIU-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
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 N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine (CID 105416634) is N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCCSC(F)(F)F)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is QFEJWXUUNFIOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15(2)9(4-3-5-9)8-14-6-7-16-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).