N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C12H24F3NO — CID 55111031

IUPACN-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-10(2,3)16-8-11(4,5)6-7-17-9-12(13,14)15/h16H,6-9H2,1-5H3
InChIKeySKSOLUAPZLRPTF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds6

About N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55111031) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55111031
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-10(2,3)16-8-11(4,5)6-7-17-9-12(13,14)15/h16H,6-9H2,1-5H3
InChIKeySKSOLUAPZLRPTF-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-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 N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55111031) is N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)(CCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is SKSOLUAPZLRPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(2,3)16-8-11(4,5)6-7-17-9-12(13,14)15/h16H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 255.32 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 N-tert-butyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55111031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).