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

C14H26F3NO2 — CID 103148226

IUPACN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO2/c1-12(2)8-10(13(3,4)20-12)11(18-5)6-7-19-9-14(15,16)17/h10-11,18H,6-9H2,1-5H3
InChIKeyJKVYRXIYHFTASN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds6

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

N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148226) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148226
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO2/c1-12(2)8-10(13(3,4)20-12)11(18-5)6-7-19-9-14(15,16)17/h10-11,18H,6-9H2,1-5H3
InChIKeyJKVYRXIYHFTASN-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
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-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148249
N-methyl-1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148361
6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148474
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148477
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-methyl-1-(oxolan-3-yl)propan-1-amine
CID 103149317
1-(2,2-difluoroethoxy)-6-methoxy-N,6-dimethylheptan-3-amine
CID 103149459
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149468
3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148226) is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JKVYRXIYHFTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-12(2)8-10(13(3,4)20-12)11(18-5)6-7-19-9-14(15,16)17/h10-11,18H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).