N-(1-adamantyl)-5-nitropyridin-2-amine

C15H19N3O2 — CID 3847778

IUPACN-(1-adamantyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H19N3O2/c19-18(20)13-1-2-14(16-9-13)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,16,17)
InChIKeyRMSQICIPJUILIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.37
Rot. Bonds3

About N-(1-adamantyl)-5-nitropyridin-2-amine

N-(1-adamantyl)-5-nitropyridin-2-amine (PubChem CID 3847778) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-adamantyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-5-nitropyridin-2-amine
PubChem CID3847778
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-adamantyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H19N3O2/c19-18(20)13-1-2-14(16-9-13)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,16,17)
InChIKeyRMSQICIPJUILIS-UHFFFAOYSA-N
XLogP3.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(1-adamantyl)-5-nitropyridin-2-amine (CID 3847778) is N-(1-adamantyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(1-adamantyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(1-adamantyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-(1-adamantyl)-5-nitropyridin-2-amine?
The InChIKey is RMSQICIPJUILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-18(20)13-1-2-14(16-9-13)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,16,17).
What are the key properties of N-(1-adamantyl)-5-nitropyridin-2-amine?
N-(1-adamantyl)-5-nitropyridin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 3847778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).