4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine

C9H18F3NS — CID 116627259

IUPAC4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCC(N)CC(C)(C)CCSC(F)(F)F
InChIInChI=1S/C9H18F3NS/c1-7(13)6-8(2,3)4-5-14-9(10,11)12/h7H,4-6,13H2,1-3H3
InChIKeyBOKVZBJFOCARHB-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.39
Rot. Bonds5

About 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine

4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine (PubChem CID 116627259) has the molecular formula C9H18F3NS and a molecular weight of 229.31 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine
PubChem CID116627259
Molecular FormulaC9H18F3NS
Molecular Weight229.31 g/mol
Exact Mass229.11
IUPAC Name4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCC(N)CC(C)(C)CCSC(F)(F)F
InChIInChI=1S/C9H18F3NS/c1-7(13)6-8(2,3)4-5-14-9(10,11)12/h7H,4-6,13H2,1-3H3
InChIKeyBOKVZBJFOCARHB-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
1,1-Difluoro-1-(thian-4-yl)propan-2-amine
CID 105449345
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine
CID 106797465
2-methyl-N-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 113544167
4,4-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-2-amine
CID 113545359
2-[3-(1-Fluoroethyl)thian-3-yl]ethanamine
CID 115018806
2-[3-(Difluoromethyl)thian-3-yl]ethanamine
CID 115020350
2,2-Difluoro-2-(3-methylthian-3-yl)ethanamine
CID 115020352
4-(2,2-Difluoropropyl)thian-3-amine
CID 115020356
1-Tert-butylsulfanyl-6,6,6-trifluorohexan-2-amine
CID 115516888
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616625

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine (CID 116627259) is 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine is CC(N)CC(C)(C)CCSC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
The InChIKey is BOKVZBJFOCARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NS/c1-7(13)6-8(2,3)4-5-14-9(10,11)12/h7H,4-6,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine?
4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethylsulfanyl)hexan-2-amine is sourced from PubChem (CID 116627259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).