8a,9,10,10a-tetrahydroacridine-2,6-diamine

C13H15N3 — CID 58212321

IUPAC8a,9,10,10a-tetrahydroacridine-2,6-diamine
SMILESNC1=CC2Nc3ccc(N)cc3CC2C=C1
InChIInChI=1S/C13H15N3/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)16-12/h1-4,6-8,13,16H,5,14-15H2
InChIKeySEEBTLCZZYNGQK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.63
Rot. Bonds

About 8a,9,10,10a-tetrahydroacridine-2,6-diamine

8a,9,10,10a-tetrahydroacridine-2,6-diamine (PubChem CID 58212321) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 8a,9,10,10a-tetrahydroacridine-2,6-diamine.

Molecular Properties

Compound Name8a,9,10,10a-tetrahydroacridine-2,6-diamine
PubChem CID58212321
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name8a,9,10,10a-tetrahydroacridine-2,6-diamine
SMILESNC1=CC2Nc3ccc(N)cc3CC2C=C1
InChIInChI=1S/C13H15N3/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)16-12/h1-4,6-8,13,16H,5,14-15H2
InChIKeySEEBTLCZZYNGQK-UHFFFAOYSA-N
XLogP1.63
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8a,9,10,10a-tetrahydroacridine-2,6-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 8a,9,10,10a-tetrahydroacridine-2,6-diamine?
The IUPAC name of 8a,9,10,10a-tetrahydroacridine-2,6-diamine (CID 58212321) is 8a,9,10,10a-tetrahydroacridine-2,6-diamine.
What is the SMILES notation for 8a,9,10,10a-tetrahydroacridine-2,6-diamine?
The canonical SMILES for 8a,9,10,10a-tetrahydroacridine-2,6-diamine is NC1=CC2Nc3ccc(N)cc3CC2C=C1.
What is the InChIKey of 8a,9,10,10a-tetrahydroacridine-2,6-diamine?
The InChIKey is SEEBTLCZZYNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)16-12/h1-4,6-8,13,16H,5,14-15H2.
What are the key properties of 8a,9,10,10a-tetrahydroacridine-2,6-diamine?
8a,9,10,10a-tetrahydroacridine-2,6-diamine has a molecular weight of 213.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a,9,10,10a-tetrahydroacridine-2,6-diamine is sourced from PubChem (CID 58212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).