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

C11H21F3N2O — CID 79115353

IUPAC4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(7-8-17-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3
InChIKeyQHPDEBVODLTCJV-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.11
Rot. Bonds5

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

4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79115353) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79115353
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(7-8-17-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3
InChIKeyQHPDEBVODLTCJV-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
CID 102861416
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (CID 79115353) is 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is CCN(CCOC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is QHPDEBVODLTCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16(7-8-17-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3.
What are the key properties of 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).