N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine

C13H19FN2 — CID 116812890

IUPACN-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine
SMILESCC1CCCC(C)C1Nc1cccc(F)n1
InChIInChI=1S/C13H19FN2/c1-9-5-3-6-10(2)13(9)16-12-8-4-7-11(14)15-12/h4,7-10,13H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyASZKBPLBTDCZTQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.46
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine

N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine (PubChem CID 116812890) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine
PubChem CID116812890
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine
SMILESCC1CCCC(C)C1Nc1cccc(F)n1
InChIInChI=1S/C13H19FN2/c1-9-5-3-6-10(2)13(9)16-12-8-4-7-11(14)15-12/h4,7-10,13H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyASZKBPLBTDCZTQ-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine (CID 116812890) is N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine is CC1CCCC(C)C1Nc1cccc(F)n1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
The InChIKey is ASZKBPLBTDCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-5-3-6-10(2)13(9)16-12-8-4-7-11(14)15-12/h4,7-10,13H,3,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine?
N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine has a molecular weight of 222.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).