2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C12H23F3N2 — CID 80999196

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCN(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-7-9-5-6-10(9)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyCDBATMZRDKRIRJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 80999196) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID80999196
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCN(CC(F)(F)F)C1CCC1CNC(C)(C)C
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-7-9-5-6-10(9)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyCDBATMZRDKRIRJ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 80999196) is 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CN(CC(F)(F)F)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is CDBATMZRDKRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2,3)16-7-9-5-6-10(9)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 80999196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).