N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine

C10H17F3N2 — CID 135356672

IUPACN-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESFC(F)(F)CCNC1C2CCC1CNC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2
InChIKeyIIKUUIXFKHQCQX-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.53
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine

N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 135356672) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID135356672
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESFC(F)(F)CCNC1C2CCC1CNC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2
InChIKeyIIKUUIXFKHQCQX-UHFFFAOYSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-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-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (CID 135356672) is N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is FC(F)(F)CCNC1C2CCC1CNC2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is IIKUUIXFKHQCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 222.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 135356672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).