7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C15H25F3N2O — CID 64865466

IUPAC7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCN(CC(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C15H25F3N2O/c1-14(2)12(11-4-6-21-13(11)14)19-7-10-3-5-20(8-10)9-15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyYXHFQQXSRNNLMT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.27
Rot. Bonds4

About 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64865466) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64865466
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCN(CC(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C15H25F3N2O/c1-14(2)12(11-4-6-21-13(11)14)19-7-10-3-5-20(8-10)9-15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyYXHFQQXSRNNLMT-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
CID 64852896
7,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862960
7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863513
7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864476
7,7-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864478
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872029
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428338
(3R)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97232664
(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97232666
(3R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100901526
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103785787

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64865466) is 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC2CCN(CC(F)(F)F)C2)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is YXHFQQXSRNNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-14(2)12(11-4-6-21-13(11)14)19-7-10-3-5-20(8-10)9-15(16,17)18/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 306.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64865466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).