6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine

C14H21FN2 — CID 113228053

IUPAC6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
SMILESCC1CC(Nc2cccc(F)n2)CC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(15)17-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,17)
InChIKeyJHDOFEFYWUQIRR-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.85
Rot. Bonds2

About 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine

6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine (PubChem CID 113228053) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
PubChem CID113228053
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
SMILESCC1CC(Nc2cccc(F)n2)CC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(15)17-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,17)
InChIKeyJHDOFEFYWUQIRR-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-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 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine (CID 113228053) is 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine is CC1CC(Nc2cccc(F)n2)CC(C)(C)C1.
What is the InChIKey of 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine?
The InChIKey is JHDOFEFYWUQIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(15)17-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine?
6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine has a molecular weight of 236.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 113228053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).