1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine

C13H25F3N2O — CID 79122822

IUPAC1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-17-11-4-6-12(7-5-11)18(2)8-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyWORGLMUKOYKGGS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds7

About 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine (PubChem CID 79122822) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
PubChem CID79122822
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-17-11-4-6-12(7-5-11)18(2)8-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyWORGLMUKOYKGGS-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine (CID 79122822) is 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine?
The InChIKey is WORGLMUKOYKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-17-11-4-6-12(7-5-11)18(2)8-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 7 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-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79122822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).