2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H19F3N2 — CID 62569419

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CC2CCC1C2
InChIInChI=1S/C11H19F3N2/c1-8(5-15-7-11(12,13)14)16-6-9-2-3-10(16)4-9/h8-10,15H,2-7H2,1H3
InChIKeyYDTYWPYDXUXJOA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62569419) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62569419
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CC2CCC1C2
InChIInChI=1S/C11H19F3N2/c1-8(5-15-7-11(12,13)14)16-6-9-2-3-10(16)4-9/h8-10,15H,2-7H2,1H3
InChIKeyYDTYWPYDXUXJOA-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-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-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62569419) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YDTYWPYDXUXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8(5-15-7-11(12,13)14)16-6-9-2-3-10(16)4-9/h8-10,15H,2-7H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62569419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).