N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine

C14H27F3N2 — CID 62256041

IUPACN-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H27F3N2/c1-3-18-10-13(8-6-5-7-9-13)11-19(4-2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyNJRPFVAVOZZNDM-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

About N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 62256041) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine
PubChem CID62256041
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H27F3N2/c1-3-18-10-13(8-6-5-7-9-13)11-19(4-2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyNJRPFVAVOZZNDM-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine (CID 62256041) is N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine is CCNCC1(CN(CC)CC(F)(F)F)CCCCC1.
What is the InChIKey of N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is NJRPFVAVOZZNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-18-10-13(8-6-5-7-9-13)11-19(4-2)12-14(15,16)17/h18H,3-12H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine 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 N-ethyl-N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62256041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).