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

C11H22F3NS — CID 116627253

IUPAC2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCC(C)CNCC(C)CCCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-9(2)7-15-8-10(3)5-4-6-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyTVFZSCZKDFZCKD-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.90
Rot. Bonds8

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

2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine (PubChem CID 116627253) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
PubChem CID116627253
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC Name2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCC(C)CNCC(C)CCCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-9(2)7-15-8-10(3)5-4-6-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyTVFZSCZKDFZCKD-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

3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
4-chloro-1-(trifluoromethylsulfanyl)pentane
CID 116617359
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
N-methyl-1-(trifluoromethylsulfanyl)heptan-4-amine
CID 116616635
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methyl]propan-1-amine
CID 116617806
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
CID 114899374
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
CID 175939227
CID 175939227
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine (CID 116627253) is 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine is CC(C)CNCC(C)CCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
The InChIKey is TVFZSCZKDFZCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-9(2)7-15-8-10(3)5-4-6-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine?
2-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 2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 116627253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).