6-nitro-1,2,3,4-tetrahydroacridin-9-amine

C13H13N3O2 — CID 10083133

IUPAC6-nitro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2
InChIInChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h5-7H,1-4H2,(H2,14,15)
InChIKeyMLEHSJMTNRGDES-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.60
Rot. Bonds1

About 6-nitro-1,2,3,4-tetrahydroacridin-9-amine

6-nitro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10083133) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-nitro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-nitro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10083133
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-nitro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2
InChIInChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h5-7H,1-4H2,(H2,14,15)
InChIKeyMLEHSJMTNRGDES-UHFFFAOYSA-N
XLogP2.60
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.60
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'}

Analyze 6-nitro-1,2,3,4-tetrahydroacridin-9-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-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-nitro-1,2,3,4-tetrahydroacridin-9-amine (CID 10083133) is 6-nitro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-nitro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2.
What is the InChIKey of 6-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is MLEHSJMTNRGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h5-7H,1-4H2,(H2,14,15).
What are the key properties of 6-nitro-1,2,3,4-tetrahydroacridin-9-amine?
6-nitro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 243.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10083133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).