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

C13H23F3N2O — CID 106219286

IUPAC3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-4-19-9-7-11(17,10(9,2)3)8-18-12(5-6-12)13(14,15)16/h9,18H,4-8,17H2,1-3H3
InChIKeyYAZDDWXKXYRCQO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds5

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

3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine (PubChem CID 106219286) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine
PubChem CID106219286
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-4-19-9-7-11(17,10(9,2)3)8-18-12(5-6-12)13(14,15)16/h9,18H,4-8,17H2,1-3H3
InChIKeyYAZDDWXKXYRCQO-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine (CID 106219286) is 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CNC2(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is YAZDDWXKXYRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-19-9-7-11(17,10(9,2)3)8-18-12(5-6-12)13(14,15)16/h9,18H,4-8,17H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 106219286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).