9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine

C25H27N3 — CID 23758777

IUPAC9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(-c3cc(C)cc(C)c3)c3ccc(N)cc3nc2c1
InChIInChI=1S/C25H27N3/c1-5-28(6-2)20-8-10-22-24(15-20)27-23-14-19(26)7-9-21(23)25(22)18-12-16(3)11-17(4)13-18/h7-15H,5-6,26H2,1-4H3
InChIKeyLXFOVZTZZGMSJZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.10
Rot. Bonds4

About 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine

9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine (PubChem CID 23758777) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine
PubChem CID23758777
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(-c3cc(C)cc(C)c3)c3ccc(N)cc3nc2c1
InChIInChI=1S/C25H27N3/c1-5-28(6-2)20-8-10-22-24(15-20)27-23-14-19(26)7-9-21(23)25(22)18-12-16(3)11-17(4)13-18/h7-15H,5-6,26H2,1-4H3
InChIKeyLXFOVZTZZGMSJZ-UHFFFAOYSA-N
XLogP6.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
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 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine?
The IUPAC name of 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine (CID 23758777) is 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine?
The canonical SMILES for 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine is CCN(CC)c1ccc2c(-c3cc(C)cc(C)c3)c3ccc(N)cc3nc2c1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine?
The InChIKey is LXFOVZTZZGMSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-5-28(6-2)20-8-10-22-24(15-20)27-23-14-19(26)7-9-21(23)25(22)18-12-16(3)11-17(4)13-18/h7-15H,5-6,26H2,1-4H3.
What are the key properties of 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine?
9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine has a molecular weight of 369.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-6-N,6-N-diethylacridine-3,6-diamine is sourced from PubChem (CID 23758777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).