5,6,7,8-tetrahydroacridine-2,9-diamine

C13H15N3 — CID 16680726

IUPAC5,6,7,8-tetrahydroacridine-2,9-diamine
SMILESNc1ccc2nc3c(c(N)c2c1)CCCC3
InChIInChI=1S/C13H15N3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4,14H2,(H2,15,16)
InChIKeyQJJKZOSVUGJCLY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds

About 5,6,7,8-tetrahydroacridine-2,9-diamine

5,6,7,8-tetrahydroacridine-2,9-diamine (PubChem CID 16680726) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroacridine-2,9-diamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroacridine-2,9-diamine
PubChem CID16680726
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5,6,7,8-tetrahydroacridine-2,9-diamine
SMILESNc1ccc2nc3c(c(N)c2c1)CCCC3
InChIInChI=1S/C13H15N3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4,14H2,(H2,15,16)
InChIKeyQJJKZOSVUGJCLY-UHFFFAOYSA-N
XLogP2.28
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroacridine-2,9-diamine?
The IUPAC name of 5,6,7,8-tetrahydroacridine-2,9-diamine (CID 16680726) is 5,6,7,8-tetrahydroacridine-2,9-diamine.
What is the SMILES notation for 5,6,7,8-tetrahydroacridine-2,9-diamine?
The canonical SMILES for 5,6,7,8-tetrahydroacridine-2,9-diamine is Nc1ccc2nc3c(c(N)c2c1)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydroacridine-2,9-diamine?
The InChIKey is QJJKZOSVUGJCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4,14H2,(H2,15,16).
What are the key properties of 5,6,7,8-tetrahydroacridine-2,9-diamine?
5,6,7,8-tetrahydroacridine-2,9-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroacridine-2,9-diamine is sourced from PubChem (CID 16680726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).