(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine

C19H20N2 — CID 153452527

IUPAC(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2/c1-4-9-18(20)21-16-12-7-5-10-14(16)19(2,3)15-11-6-8-13-17(15)21/h4-13,20H,1-3H3/b9-4-,20-18+
InChIKeyPUZHDJKRMSCWMM-IQFPDGFASA-N
MW276.38 g/mol
LogP5.02
Rot. Bonds1

About (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine

(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine (PubChem CID 153452527) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine
PubChem CID153452527
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2/c1-4-9-18(20)21-16-12-7-5-10-14(16)19(2,3)15-11-6-8-13-17(15)21/h4-13,20H,1-3H3/b9-4-,20-18+
InChIKeyPUZHDJKRMSCWMM-IQFPDGFASA-N
XLogP5.02
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine?
The IUPAC name of (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine (CID 153452527) is (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine is [H]/N=C(\C=C/C)N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine?
The InChIKey is PUZHDJKRMSCWMM-IQFPDGFASA-N. The full InChI is InChI=1S/C19H20N2/c1-4-9-18(20)21-16-12-7-5-10-14(16)19(2,3)15-11-6-8-13-17(15)21/h4-13,20H,1-3H3/b9-4-,20-18+.
What are the key properties of (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine?
(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine has a molecular weight of 276.38 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine is sourced from PubChem (CID 153452527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).