N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine

C13H24F3NS — CID 116628168

IUPACN-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-2-8-17-10-12-6-4-3-5-11(12)7-9-18-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDYQPVCAYPRGZKJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.44
Rot. Bonds7

About N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine

N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 116628168) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID116628168
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C13H24F3NS/c1-2-8-17-10-12-6-4-3-5-11(12)7-9-18-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDYQPVCAYPRGZKJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.44
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-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116628166
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[[4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116628199
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900
4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616677
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine (CID 116628168) is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1CCSC(F)(F)F.
What is the InChIKey of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is DYQPVCAYPRGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-2-8-17-10-12-6-4-3-5-11(12)7-9-18-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine?
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 116628168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).