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

C11H20F3NS — CID 116617806

IUPAC2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-9(2)7-15-8-10(3-4-10)5-6-16-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyCXKPOXFDNVNWNU-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.66
Rot. Bonds7

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

2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 116617806) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
PubChem CID116617806
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-9(2)7-15-8-10(3-4-10)5-6-16-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyCXKPOXFDNVNWNU-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
CID 79228382
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane
CID 116627954
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane
CID 116627956
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
N-[[1-(3-methylbutyl)cyclopropyl]methyl]ethanamine
CID 66026435
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine (CID 116617806) is 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1(CCSC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is CXKPOXFDNVNWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9(2)7-15-8-10(3-4-10)5-6-16-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 116617806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).