5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine

C15H23FN2 — CID 103967192

IUPAC5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2ccc(F)cn2)CC(C)(C)C1
InChIInChI=1S/C15H23FN2/c1-14(2)7-12(8-15(3,4)10-14)18-13-6-5-11(16)9-17-13/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyGEYOOWIAAIZJNW-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.24
Rot. Bonds2

About 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine

5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine (PubChem CID 103967192) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
PubChem CID103967192
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2ccc(F)cn2)CC(C)(C)C1
InChIInChI=1S/C15H23FN2/c1-14(2)7-12(8-15(3,4)10-14)18-13-6-5-11(16)9-17-13/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyGEYOOWIAAIZJNW-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine (CID 103967192) is 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine is CC1(C)CC(Nc2ccc(F)cn2)CC(C)(C)C1.
What is the InChIKey of 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The InChIKey is GEYOOWIAAIZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-14(2)7-12(8-15(3,4)10-14)18-13-6-5-11(16)9-17-13/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine has a molecular weight of 250.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 103967192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).