1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine

C11H21F3N2S — CID 116616968

IUPAC1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-15-9-3-5-10(6-4-9)16(2)7-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOWQIFCDSMGZAHN-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds5

About 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 116616968) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
PubChem CID116616968
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCSC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-15-9-3-5-10(6-4-9)16(2)7-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOWQIFCDSMGZAHN-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine (CID 116616968) is 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)CCSC(F)(F)F)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is OWQIFCDSMGZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-15-9-3-5-10(6-4-9)16(2)7-8-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 116616968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).