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

C11H21F3N2O — CID 79122987

IUPAC1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCOC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/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
InChIKeyYBTDXYNDNHAREW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.99
Rot. Bonds5

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

1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79122987) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79122987
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CCOC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/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
InChIKeyYBTDXYNDNHAREW-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122136
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 112587794
4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111304
N,N-dimethyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122060
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine
CID 114763004
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
CID 79110170
4-N-but-2-ynyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111232
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
CID 79110399
4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 117029205

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (CID 79122987) is 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)CCOC(F)(F)F)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is YBTDXYNDNHAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/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-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.99, 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-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79122987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).