N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

C14H27F3N2O — CID 61490482

IUPACN'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCN(CCCNCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H27F3N2O/c1-19(13-6-3-2-4-7-13)10-5-8-18-9-11-20-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyAOKRSWMIFUKOGD-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.81
Rot. Bonds9

About N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 61490482) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID61490482
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCN(CCCNCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H27F3N2O/c1-19(13-6-3-2-4-7-13)10-5-8-18-9-11-20-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyAOKRSWMIFUKOGD-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.81
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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Related Compounds

N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 61490482) is N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is CN(CCCNCCOCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is AOKRSWMIFUKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-19(13-6-3-2-4-7-13)10-5-8-18-9-11-20-12-14(15,16)17/h13,18H,2-12H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 296.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 61490482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).