N,1,3-trimethylacridin-9-amine

C16H16N2 — CID 71682425

IUPACN,1,3-trimethylacridin-9-amine
SMILESCNc1c2ccccc2nc2cc(C)cc(C)c12
InChIInChI=1S/C16H16N2/c1-10-8-11(2)15-14(9-10)18-13-7-5-4-6-12(13)16(15)17-3/h4-9H,1-3H3,(H,17,18)
InChIKeyQSBDROGKCMKRHS-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.05
Rot. Bonds1

About N,1,3-trimethylacridin-9-amine

N,1,3-trimethylacridin-9-amine (PubChem CID 71682425) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N,1,3-trimethylacridin-9-amine.

Molecular Properties

Compound NameN,1,3-trimethylacridin-9-amine
PubChem CID71682425
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN,1,3-trimethylacridin-9-amine
SMILESCNc1c2ccccc2nc2cc(C)cc(C)c12
InChIInChI=1S/C16H16N2/c1-10-8-11(2)15-14(9-10)18-13-7-5-4-6-12(13)16(15)17-3/h4-9H,1-3H3,(H,17,18)
InChIKeyQSBDROGKCMKRHS-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,2,3,5,7-pentamethylquinolin-4-amine
CID 62201677
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
N,3,6,8-tetramethyl-2-phenylquinolin-4-amine
CID 104846969
2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
CID 62891070
ethane;2-methoxy-N,6-dimethylacridin-9-amine
CID 142806892
6-chloro-N,2-dimethylacridin-9-amine
CID 86110461
1,3,10-trimethylphenanthrene
CID 12996190
(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250780

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethylacridin-9-amine?
The IUPAC name of N,1,3-trimethylacridin-9-amine (CID 71682425) is N,1,3-trimethylacridin-9-amine.
What is the SMILES notation for N,1,3-trimethylacridin-9-amine?
The canonical SMILES for N,1,3-trimethylacridin-9-amine is CNc1c2ccccc2nc2cc(C)cc(C)c12.
What is the InChIKey of N,1,3-trimethylacridin-9-amine?
The InChIKey is QSBDROGKCMKRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-10-8-11(2)15-14(9-10)18-13-7-5-4-6-12(13)16(15)17-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of N,1,3-trimethylacridin-9-amine?
N,1,3-trimethylacridin-9-amine has a molecular weight of 236.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethylacridin-9-amine is sourced from PubChem (CID 71682425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).