7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C15H24F3NO — CID 64863513

IUPAC7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CCCC(C(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C15H24F3NO/c1-14(2)12(11-6-7-20-13(11)14)19-10-5-3-4-9(8-10)15(16,17)18/h9-13,19H,3-8H2,1-2H3
InChIKeyGQQUOILKNGGVGN-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.51
Rot. Bonds2

About 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863513) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863513
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CCCC(C(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C15H24F3NO/c1-14(2)12(11-6-7-20-13(11)14)19-10-5-3-4-9(8-10)15(16,17)18/h9-13,19H,3-8H2,1-2H3
InChIKeyGQQUOILKNGGVGN-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863513) is 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC2CCCC(C(F)(F)F)C2)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GQQUOILKNGGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-14(2)12(11-6-7-20-13(11)14)19-10-5-3-4-9(8-10)15(16,17)18/h9-13,19H,3-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 291.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).