N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H28F3NO2 — CID 103148477

IUPACN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO2/c1-6-19-12(7-8-20-10-15(16,17)18)11-9-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyBGPZHYBENOBDDT-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148477) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148477
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC NameN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO2/c1-6-19-12(7-8-20-10-15(16,17)18)11-9-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyBGPZHYBENOBDDT-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148226
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148249
N-ethyl-1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148578
N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148664
6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148796
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149133
3-(2,2-difluoroethoxy)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149165
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149468
3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149500
3-(2,2-difluoroethoxy)-N-ethyl-1-(oxolan-3-yl)propan-1-amine
CID 103149655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148477) is N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is BGPZHYBENOBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO2/c1-6-19-12(7-8-20-10-15(16,17)18)11-9-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).