9H-fluorene-3,6-diamine

C13H12N2 — CID 23110770

IUPAC9H-fluorene-3,6-diamine
SMILESNc1ccc2c(c1)-c1cc(N)ccc1C2
InChIInChI=1S/C13H12N2/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h1-4,6-7H,5,14-15H2
InChIKeyRTFUEWUXBUEAEA-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.42
Rot. Bonds

About 9H-fluorene-3,6-diamine

9H-fluorene-3,6-diamine (PubChem CID 23110770) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9H-fluorene-3,6-diamine.

Molecular Properties

Compound Name9H-fluorene-3,6-diamine
PubChem CID23110770
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name9H-fluorene-3,6-diamine
SMILESNc1ccc2c(c1)-c1cc(N)ccc1C2
InChIInChI=1S/C13H12N2/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h1-4,6-7H,5,14-15H2
InChIKeyRTFUEWUXBUEAEA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-3,6-diamine?
The IUPAC name of 9H-fluorene-3,6-diamine (CID 23110770) is 9H-fluorene-3,6-diamine.
What is the SMILES notation for 9H-fluorene-3,6-diamine?
The canonical SMILES for 9H-fluorene-3,6-diamine is Nc1ccc2c(c1)-c1cc(N)ccc1C2.
What is the InChIKey of 9H-fluorene-3,6-diamine?
The InChIKey is RTFUEWUXBUEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10/h1-4,6-7H,5,14-15H2.
What are the key properties of 9H-fluorene-3,6-diamine?
9H-fluorene-3,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-3,6-diamine is sourced from PubChem (CID 23110770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).