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

C10H19F3N2S — CID 116616966

IUPAC4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCSC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3
InChIKeyNKZDAZNNKYXSJL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.44
Rot. Bonds4

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

4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 116616966) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
PubChem CID116616966
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCSC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3
InChIKeyNKZDAZNNKYXSJL-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine (CID 116616966) is 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine is CN(CCSC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is NKZDAZNNKYXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3.
What are the key properties of 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 116616966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).