2,7-dimethylacridine-3,6-diamine

C15H15N3 — CID 7081

IUPAC2,7-dimethylacridine-3,6-diamine
SMILESCc1cc2cc3cc(C)c(N)cc3nc2cc1N
InChIInChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3
InChIKeyHGHJYCKSBMCGRK-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.17
Rot. Bonds

About 2,7-dimethylacridine-3,6-diamine

2,7-dimethylacridine-3,6-diamine (PubChem CID 7081) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,7-dimethylacridine-3,6-diamine.

Molecular Properties

Compound Name2,7-dimethylacridine-3,6-diamine
PubChem CID7081
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2,7-dimethylacridine-3,6-diamine
SMILESCc1cc2cc3cc(C)c(N)cc3nc2cc1N
InChIInChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3
InChIKeyHGHJYCKSBMCGRK-UHFFFAOYSA-N
XLogP3.17
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylacridine-3,6-diamine?
The IUPAC name of 2,7-dimethylacridine-3,6-diamine (CID 7081) is 2,7-dimethylacridine-3,6-diamine.
What is the SMILES notation for 2,7-dimethylacridine-3,6-diamine?
The canonical SMILES for 2,7-dimethylacridine-3,6-diamine is Cc1cc2cc3cc(C)c(N)cc3nc2cc1N.
What is the InChIKey of 2,7-dimethylacridine-3,6-diamine?
The InChIKey is HGHJYCKSBMCGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3.
What are the key properties of 2,7-dimethylacridine-3,6-diamine?
2,7-dimethylacridine-3,6-diamine has a molecular weight of 237.31 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylacridine-3,6-diamine is sourced from PubChem (CID 7081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).