3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine

C13H26FN — CID 105469223

IUPAC3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)C(C)(F)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-12(2,10-15)13(3,14)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3
InChIKeyXWRXAFXQYKEHDL-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.67
Rot. Bonds3

About 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine

3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine (PubChem CID 105469223) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine
PubChem CID105469223
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)C(C)(F)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-12(2,10-15)13(3,14)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3
InChIKeyXWRXAFXQYKEHDL-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-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 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine?
The IUPAC name of 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine (CID 105469223) is 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine?
The canonical SMILES for 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine is CC(C)(CN)C(C)(F)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine?
The InChIKey is XWRXAFXQYKEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-12(2,10-15)13(3,14)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3.
What are the key properties of 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine?
3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-3-fluoro-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105469223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).