5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

C13H26F3NO2 — CID 103216592

IUPAC5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-5-8-17-11(6-7-12(2,3)18-4)9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyQQYCVYIGMUCECZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds10

About 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 103216592) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID103216592
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-5-8-17-11(6-7-12(2,3)18-4)9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyQQYCVYIGMUCECZ-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 103216592) is 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is CCCNC(CCC(C)(C)OC)COCC(F)(F)F.
What is the InChIKey of 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is QQYCVYIGMUCECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-5-8-17-11(6-7-12(2,3)18-4)9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 103216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).