N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NS — CID 43434639

IUPACN-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyLTIBLYLCVPUBAS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434639) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434639
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyLTIBLYLCVPUBAS-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
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-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 43434639) is N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is CSCCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LTIBLYLCVPUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).