1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine

C15H27F3N2 — CID 79110275

IUPAC1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2/c1-19-12-6-8-13(9-7-12)20(2)14-5-3-4-11(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyFHMFSGZWUYTZDM-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine (PubChem CID 79110275) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
PubChem CID79110275
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2/c1-19-12-6-8-13(9-7-12)20(2)14-5-3-4-11(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyFHMFSGZWUYTZDM-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine (CID 79110275) is 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)C2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine?
The InChIKey is FHMFSGZWUYTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-19-12-6-8-13(9-7-12)20(2)14-5-3-4-11(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79110275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).