N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine

C15H28F3NS — CID 116628213

IUPACN-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1CCSC(F)(F)F
InChIInChI=1S/C15H28F3NS/c1-11(2)19-10-13-5-7-14(3,4)9-12(13)6-8-20-15(16,17)18/h11-13,19H,5-10H2,1-4H3
InChIKeyNVDDWTBKFYFJNP-UHFFFAOYSA-N
MW311.46 g/mol
LogP5.07
Rot. Bonds6

About N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine

N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 116628213) has the molecular formula C15H28F3NS and a molecular weight of 311.46 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
PubChem CID116628213
Molecular FormulaC15H28F3NS
Molecular Weight311.46 g/mol
Exact Mass311.19
IUPAC NameN-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1CCSC(F)(F)F
InChIInChI=1S/C15H28F3NS/c1-11(2)19-10-13-5-7-14(3,4)9-12(13)6-8-20-15(16,17)18/h11-13,19H,5-10H2,1-4H3
InChIKeyNVDDWTBKFYFJNP-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494
N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760024
N-(6-methylsulfanylhexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609796
N-(3-methylsulfanylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844708
N-(4-methylsulfanylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844741
N-(1-methylsulfanylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844742
N-(6-methylsulfanylhexyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844843
(1S)-1-cyclohexyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891282

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine (CID 116628213) is N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C)(C)CC1CCSC(F)(F)F.
What is the InChIKey of N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is NVDDWTBKFYFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NS/c1-11(2)19-10-13-5-7-14(3,4)9-12(13)6-8-20-15(16,17)18/h11-13,19H,5-10H2,1-4H3.
What are the key properties of N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine?
N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 311.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 116628213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).