3,6-dimethylacridin-1-amine

C15H14N2 — CID 87586132

IUPAC3,6-dimethylacridin-1-amine
SMILESCc1ccc2cc3c(N)cc(C)cc3nc2c1
InChIInChI=1S/C15H14N2/c1-9-3-4-11-8-12-13(16)5-10(2)7-15(12)17-14(11)6-9/h3-8H,16H2,1-2H3
InChIKeyGJIDMXXZARFXNJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.59
Rot. Bonds

About 3,6-dimethylacridin-1-amine

3,6-dimethylacridin-1-amine (PubChem CID 87586132) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,6-dimethylacridin-1-amine.

Molecular Properties

Compound Name3,6-dimethylacridin-1-amine
PubChem CID87586132
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3,6-dimethylacridin-1-amine
SMILESCc1ccc2cc3c(N)cc(C)cc3nc2c1
InChIInChI=1S/C15H14N2/c1-9-3-4-11-8-12-13(16)5-10(2)7-15(12)17-14(11)6-9/h3-8H,16H2,1-2H3
InChIKeyGJIDMXXZARFXNJ-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,6-dimethylacridin-1-amine?
The IUPAC name of 3,6-dimethylacridin-1-amine (CID 87586132) is 3,6-dimethylacridin-1-amine.
What is the SMILES notation for 3,6-dimethylacridin-1-amine?
The canonical SMILES for 3,6-dimethylacridin-1-amine is Cc1ccc2cc3c(N)cc(C)cc3nc2c1.
What is the InChIKey of 3,6-dimethylacridin-1-amine?
The InChIKey is GJIDMXXZARFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-9-3-4-11-8-12-13(16)5-10(2)7-15(12)17-14(11)6-9/h3-8H,16H2,1-2H3.
What are the key properties of 3,6-dimethylacridin-1-amine?
3,6-dimethylacridin-1-amine has a molecular weight of 222.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylacridin-1-amine is sourced from PubChem (CID 87586132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).