7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C14H25F3N2O — CID 114947734

IUPAC7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H25F3N2O/c1-4-6-19(9-14(15,16)17)8-13(18)10-5-7-20-11(10)12(13,2)3/h10-11H,4-9,18H2,1-3H3
InChIKeyPWPLVJDCXFEZSK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.40
Rot. Bonds5

About 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114947734) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114947734
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H25F3N2O/c1-4-6-19(9-14(15,16)17)8-13(18)10-5-7-20-11(10)12(13,2)3/h10-11H,4-9,18H2,1-3H3
InChIKeyPWPLVJDCXFEZSK-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114947734) is 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CCCN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is PWPLVJDCXFEZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-4-6-19(9-14(15,16)17)8-13(18)10-5-7-20-11(10)12(13,2)3/h10-11H,4-9,18H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 294.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114947734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).