2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine

C14H17F4N3 — CID 103749818

IUPAC2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
SMILESCN1C2CCC1CC(CNc1c(F)c(F)nc(F)c1F)C2
InChIInChI=1S/C14H17F4N3/c1-21-8-2-3-9(21)5-7(4-8)6-19-12-10(15)13(17)20-14(18)11(12)16/h7-9H,2-6H2,1H3,(H,19,20)
InChIKeyDNCDPMVGPJCNMV-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.92
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine (PubChem CID 103749818) has the molecular formula C14H17F4N3 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
PubChem CID103749818
Molecular FormulaC14H17F4N3
Molecular Weight303.30 g/mol
Exact Mass303.14
IUPAC Name2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
SMILESCN1C2CCC1CC(CNc1c(F)c(F)nc(F)c1F)C2
InChIInChI=1S/C14H17F4N3/c1-21-8-2-3-9(21)5-7(4-8)6-19-12-10(15)13(17)20-14(18)11(12)16/h7-9H,2-6H2,1H3,(H,19,20)
InChIKeyDNCDPMVGPJCNMV-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine (CID 103749818) is 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine is CN1C2CCC1CC(CNc1c(F)c(F)nc(F)c1F)C2.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The InChIKey is DNCDPMVGPJCNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3/c1-21-8-2-3-9(21)5-7(4-8)6-19-12-10(15)13(17)20-14(18)11(12)16/h7-9H,2-6H2,1H3,(H,19,20).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine has a molecular weight of 303.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103749818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).