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

C13H26FN — CID 112566685

IUPAC2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-12(2,3)13(14,10-15)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3
InChIKeyNAXZTHGXEXSFLB-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.67
Rot. Bonds2

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

2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566685) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566685
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-12(2,3)13(14,10-15)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3
InChIKeyNAXZTHGXEXSFLB-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566685) is 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is NAXZTHGXEXSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-12(2,3)13(14,10-15)11-8-6-4-5-7-9-11/h11H,4-10,15H2,1-3H3.
What are the key properties of 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine?
2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).