N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H27F3N2 — CID 62257082

IUPACN-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C15H27F3N2/c1-2-19-10-14(8-4-3-5-9-14)11-20(13-6-7-13)12-15(16,17)18/h13,19H,2-12H2,1H3
InChIKeyUWOUBUHMUNUYEU-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds7

About N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62257082) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62257082
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C15H27F3N2/c1-2-19-10-14(8-4-3-5-9-14)11-20(13-6-7-13)12-15(16,17)18/h13,19H,2-12H2,1H3
InChIKeyUWOUBUHMUNUYEU-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62257082) is N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1.
What is the InChIKey of N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is UWOUBUHMUNUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-19-10-14(8-4-3-5-9-14)11-20(13-6-7-13)12-15(16,17)18/h13,19H,2-12H2,1H3.
What are the key properties of N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62257082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).