9H-fluorene-1,9-diamine

C13H12N2 — CID 3040611

IUPAC9H-fluorene-1,9-diamine
SMILESNc1cccc2c1C(N)c1ccccc1-2
InChIInChI=1S/C13H12N2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,13H,14-15H2
InChIKeySKKKJNPBIGQNEJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.30
Rot. Bonds

About 9H-fluorene-1,9-diamine

9H-fluorene-1,9-diamine (PubChem CID 3040611) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9H-fluorene-1,9-diamine.

Molecular Properties

Compound Name9H-fluorene-1,9-diamine
PubChem CID3040611
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name9H-fluorene-1,9-diamine
SMILESNc1cccc2c1C(N)c1ccccc1-2
InChIInChI=1S/C13H12N2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,13H,14-15H2
InChIKeySKKKJNPBIGQNEJ-UHFFFAOYSA-N
XLogP2.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9H-fluorene-1,9-diamine 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 9H-fluorene-1,9-diamine?
The IUPAC name of 9H-fluorene-1,9-diamine (CID 3040611) is 9H-fluorene-1,9-diamine.
What is the SMILES notation for 9H-fluorene-1,9-diamine?
The canonical SMILES for 9H-fluorene-1,9-diamine is Nc1cccc2c1C(N)c1ccccc1-2.
What is the InChIKey of 9H-fluorene-1,9-diamine?
The InChIKey is SKKKJNPBIGQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,13H,14-15H2.
What are the key properties of 9H-fluorene-1,9-diamine?
9H-fluorene-1,9-diamine has a molecular weight of 196.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-1,9-diamine is sourced from PubChem (CID 3040611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).