3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine

C13H25F3N2O — CID 114830662

IUPAC3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H25F3N2O/c1-5-19-10-8-12(17,11(10,2)3)9-18(4)7-6-13(14,15)16/h10H,5-9,17H2,1-4H3
InChIKeyYLGJBMISDZEMQD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830662) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
PubChem CID114830662
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H25F3N2O/c1-5-19-10-8-12(17,11(10,2)3)9-18(4)7-6-13(14,15)16/h10H,5-9,17H2,1-4H3
InChIKeyYLGJBMISDZEMQD-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine (CID 114830662) is 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(C)CCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is YLGJBMISDZEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-5-19-10-8-12(17,11(10,2)3)9-18(4)7-6-13(14,15)16/h10H,5-9,17H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).