5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine

C12H19FN2 — CID 59139835

IUPAC5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncc(CC(C)(C)C)cc1F
InChIInChI=1S/C12H19FN2/c1-12(2,3)7-9-6-10(13)11(14-8-9)15(4)5/h6,8H,7H2,1-5H3
InChIKeyUMSVPHMOPBFAHV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.88
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine

5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine (PubChem CID 59139835) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine
PubChem CID59139835
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncc(CC(C)(C)C)cc1F
InChIInChI=1S/C12H19FN2/c1-12(2,3)7-9-6-10(13)11(14-8-9)15(4)5/h6,8H,7H2,1-5H3
InChIKeyUMSVPHMOPBFAHV-UHFFFAOYSA-N
XLogP2.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine (CID 59139835) is 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine is CN(C)c1ncc(CC(C)(C)C)cc1F.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine?
The InChIKey is UMSVPHMOPBFAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(2,3)7-9-6-10(13)11(14-8-9)15(4)5/h6,8H,7H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine?
5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine has a molecular weight of 210.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 59139835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).