3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine

C11H22F3NS — CID 116628142

IUPAC3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-9(2)8-15-6-4-10(3)5-7-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVIAZWUAYVIVMQC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.90
Rot. Bonds8

About 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine

3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine (PubChem CID 116628142) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
PubChem CID116628142
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC Name3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-9(2)8-15-6-4-10(3)5-7-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVIAZWUAYVIVMQC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.90
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-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
CID 116617806
3-methyl-N-(2-methylpropyl)octan-1-amine
CID 81019689
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627257
2-propan-2-yl-N'-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 106427205
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
4-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616699
2-(4-chlorophenyl)-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine (CID 116628142) is 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine is CC(C)CNCCC(C)CCSC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The InChIKey is VIAZWUAYVIVMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-9(2)8-15-6-4-10(3)5-7-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 116628142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).