4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C13H24F3NS — CID 116616677

IUPAC4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-3-7-17-12-5-4-10(2)9-11(12)6-8-18-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDYUYLKIFSKYYPO-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.43
Rot. Bonds6

About 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616677) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616677
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-3-7-17-12-5-4-10(2)9-11(12)6-8-18-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDYUYLKIFSKYYPO-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616694
N,2-dimethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627267
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 116628168
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616677) is 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CCCNC1CCC(C)CC1CCSC(F)(F)F.
What is the InChIKey of 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is DYUYLKIFSKYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-3-7-17-12-5-4-10(2)9-11(12)6-8-18-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).