1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C14H27F3N2 — CID 104745631

IUPAC1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(NC)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-3-9-19(11-14(15,16)17)10-13(18-2)12-7-5-4-6-8-12/h12-13,18H,3-11H2,1-2H3
InChIKeyVGSAFHJGHYGORE-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

About 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104745631) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104745631
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(NC)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-3-9-19(11-14(15,16)17)10-13(18-2)12-7-5-4-6-8-12/h12-13,18H,3-11H2,1-2H3
InChIKeyVGSAFHJGHYGORE-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 104744662
1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113448176
1-cyclohexyl-N-methyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745640
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
1-cyclohexyl-N'-propan-2-yl-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745637
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736
1-cyclohexyl-N'-(1-ethylpiperidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 104745568
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104745631) is 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(NC)C1CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VGSAFHJGHYGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-9-19(11-14(15,16)17)10-13(18-2)12-7-5-4-6-8-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104745631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).