N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C14H26F3NS — CID 116616694

IUPACN-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CCSC(F)(F)F
InChIInChI=1S/C14H26F3NS/c1-4-18-13-6-5-11(10(2)3)9-12(13)7-8-19-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyOMCRLMZRNBEHDF-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.68
Rot. Bonds6

About N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616694) has the molecular formula C14H26F3NS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616694
Molecular FormulaC14H26F3NS
Molecular Weight297.43 g/mol
Exact Mass297.17
IUPAC NameN-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CCSC(F)(F)F
InChIInChI=1S/C14H26F3NS/c1-4-18-13-6-5-11(10(2)3)9-12(13)7-8-19-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyOMCRLMZRNBEHDF-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616694) is N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CCSC(F)(F)F.
What is the InChIKey of N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is OMCRLMZRNBEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NS/c1-4-18-13-6-5-11(10(2)3)9-12(13)7-8-19-14(15,16)17/h10-13,18H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).