3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine

C12H17FN2O — CID 103742729

IUPAC3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
SMILESCOC1CC(Nc2ncccc2F)C1(C)C
InChIInChI=1S/C12H17FN2O/c1-12(2)9(7-10(12)16-3)15-11-8(13)5-4-6-14-11/h4-6,9-10H,7H2,1-3H3,(H,14,15)
InChIKeyJTKHCZOYQQVWSD-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.45
Rot. Bonds3

About 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine

3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine (PubChem CID 103742729) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
PubChem CID103742729
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
SMILESCOC1CC(Nc2ncccc2F)C1(C)C
InChIInChI=1S/C12H17FN2O/c1-12(2)9(7-10(12)16-3)15-11-8(13)5-4-6-14-11/h4-6,9-10H,7H2,1-3H3,(H,14,15)
InChIKeyJTKHCZOYQQVWSD-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine (CID 103742729) is 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine is COC1CC(Nc2ncccc2F)C1(C)C.
What is the InChIKey of 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine?
The InChIKey is JTKHCZOYQQVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2)9(7-10(12)16-3)15-11-8(13)5-4-6-14-11/h4-6,9-10H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine?
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine is sourced from PubChem (CID 103742729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).