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

C12H20F3NO — CID 114158581

IUPAC3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
SMILESCCOC1CC(NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C12H20F3NO/c1-4-17-9-7-8(10(9,2)3)16-11(5-6-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyWPEIMMRSDBNQNX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds4

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

3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine (PubChem CID 114158581) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
PubChem CID114158581
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
SMILESCCOC1CC(NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C12H20F3NO/c1-4-17-9-7-8(10(9,2)3)16-11(5-6-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyWPEIMMRSDBNQNX-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 95240890
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
CID 79861665
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4,5-trifluoroaniline
CID 64850764
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine (CID 114158581) is 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine is CCOC1CC(NC2(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine?
The InChIKey is WPEIMMRSDBNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-4-17-9-7-8(10(9,2)3)16-11(5-6-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine is sourced from PubChem (CID 114158581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).