N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H24F3NS — CID 104926306

IUPACN-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NS/c1-18-10-4-2-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUCNWGKOLFMKSTP-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.23
Rot. Bonds7

About N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104926306) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104926306
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC NameN-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NS/c1-18-10-4-2-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUCNWGKOLFMKSTP-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104926306) is N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is CSCCCCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UCNWGKOLFMKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-18-10-4-2-3-9-17-12-7-5-11(6-8-12)13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104926306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).