2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C13H24F3NO — CID 64852163

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-9(2)8-18-11-7-10(12(11,3)4)17-6-5-13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyWPTXGNFWAXBMKG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 64852163) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID64852163
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-9(2)8-18-11-7-10(12(11,3)4)17-6-5-13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyWPTXGNFWAXBMKG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 64852163) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is CC(C)COC1CC(NCCC(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is WPTXGNFWAXBMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)8-18-11-7-10(12(11,3)4)17-6-5-13(14,15)16/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 64852163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).