5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine

C12H24F3NO — CID 116759880

IUPAC5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine
SMILESCCOC(CC)(CC)C(CCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-5-11(6-2,17-7-3)10(16-4)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyTXIQBLDUNRJMLX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds8

About 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine

5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine (PubChem CID 116759880) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine
PubChem CID116759880
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine
SMILESCCOC(CC)(CC)C(CCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-5-11(6-2,17-7-3)10(16-4)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyTXIQBLDUNRJMLX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62110414

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine?
The IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine (CID 116759880) is 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine?
The canonical SMILES for 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine is CCOC(CC)(CC)C(CCC(F)(F)F)NC.
What is the InChIKey of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine?
The InChIKey is TXIQBLDUNRJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-11(6-2,17-7-3)10(16-4)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine?
5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine is sourced from PubChem (CID 116759880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).