3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine

C14H27F3N2O — CID 114830436

IUPAC3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CC(F)(F)F)C(C)C)C1(C)C
InChIInChI=1S/C14H27F3N2O/c1-6-20-11-7-13(18,12(11,4)5)8-19(10(2)3)9-14(15,16)17/h10-11H,6-9,18H2,1-5H3
InChIKeyJGXSCCOWHNYMSW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.79
Rot. Bonds6

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

3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830436) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
PubChem CID114830436
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CC(F)(F)F)C(C)C)C1(C)C
InChIInChI=1S/C14H27F3N2O/c1-6-20-11-7-13(18,12(11,4)5)8-19(10(2)3)9-14(15,16)17/h10-11H,6-9,18H2,1-5H3
InChIKeyJGXSCCOWHNYMSW-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.79
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (CID 114830436) is 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(CC(F)(F)F)C(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is JGXSCCOWHNYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-6-20-11-7-13(18,12(11,4)5)8-19(10(2)3)9-14(15,16)17/h10-11H,6-9,18H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.79, 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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).