2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C13H24F3NO — CID 66350307

IUPAC2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(C)CC
InChIInChI=1S/C13H24F3NO/c1-5-7-17-10-8-11(12(10,4)6-2)18-9(3)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyKFLDKGCMHOSVKE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350307) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350307
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(C)CC
InChIInChI=1S/C13H24F3NO/c1-5-7-17-10-8-11(12(10,4)6-2)18-9(3)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyKFLDKGCMHOSVKE-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350307) is 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCCNC1CC(OC(C)C(F)(F)F)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is KFLDKGCMHOSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-7-17-10-8-11(12(10,4)6-2)18-9(3)13(14,15)16/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).