N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine

C13H19N3O2 — CID 64923576

IUPACN-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
SMILESCCC1CCC(Nc2ccc([N+](=O)[O-])nc2)C1C
InChIInChI=1S/C13H19N3O2/c1-3-10-4-6-12(9(10)2)15-11-5-7-13(14-8-11)16(17)18/h5,7-10,12,15H,3-4,6H2,1-2H3
InChIKeyKOYZWORQGOPJGQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.23
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine

N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine (PubChem CID 64923576) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
PubChem CID64923576
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
SMILESCCC1CCC(Nc2ccc([N+](=O)[O-])nc2)C1C
InChIInChI=1S/C13H19N3O2/c1-3-10-4-6-12(9(10)2)15-11-5-7-13(14-8-11)16(17)18/h5,7-10,12,15H,3-4,6H2,1-2H3
InChIKeyKOYZWORQGOPJGQ-UHFFFAOYSA-N
XLogP3.23
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.23
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-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine (CID 64923576) is N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine is CCC1CCC(Nc2ccc([N+](=O)[O-])nc2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine?
The InChIKey is KOYZWORQGOPJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-4-6-12(9(10)2)15-11-5-7-13(14-8-11)16(17)18/h5,7-10,12,15H,3-4,6H2,1-2H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine?
N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 64923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).