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

C14H28F3NO — CID 116760339

IUPAC5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(CC)(CC)OCC
InChIInChI=1S/C14H28F3NO/c1-5-11-18-12(9-10-14(15,16)17)13(6-2,7-3)19-8-4/h12,18H,5-11H2,1-4H3
InChIKeyAMCKJCXUGWNQMB-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.29
Rot. Bonds10

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

5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine (PubChem CID 116760339) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine
PubChem CID116760339
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine
SMILESCCCNC(CCC(F)(F)F)C(CC)(CC)OCC
InChIInChI=1S/C14H28F3NO/c1-5-11-18-12(9-10-14(15,16)17)13(6-2,7-3)19-8-4/h12,18H,5-11H2,1-4H3
InChIKeyAMCKJCXUGWNQMB-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
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
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490529
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine?
The IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine (CID 116760339) is 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine?
The canonical SMILES for 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine is CCCNC(CCC(F)(F)F)C(CC)(CC)OCC.
What is the InChIKey of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine?
The InChIKey is AMCKJCXUGWNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-11-18-12(9-10-14(15,16)17)13(6-2,7-3)19-8-4/h12,18H,5-11H2,1-4H3.
What are the key properties of 5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine?
5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine has a molecular weight of 283.38 g/mol, XLogP of 4.29, 10 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-propylheptan-4-amine is sourced from PubChem (CID 116760339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).