N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C11H22F3NS — CID 116616639

IUPACN-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(10(2,3)4)7-6-8-16-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyAHKZJEVNKCZPGD-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.04
Rot. Bonds6

About N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine

N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616639) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616639
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(10(2,3)4)7-6-8-16-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyAHKZJEVNKCZPGD-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.04
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

N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616698
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
N-methyl-1-(trifluoromethylsulfanyl)heptan-4-amine
CID 116616635
4-chloro-1-(trifluoromethylsulfanyl)pentane
CID 116617359
N-ethyl-4-methyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627257
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627244
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62623521
N-ethyl-3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82788368
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 63494212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616639) is N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CCNC(CCCSC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is AHKZJEVNKCZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-5-15-9(10(2,3)4)7-6-8-16-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 257.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).