7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine

C24H33N3S — CID 172547145

IUPAC7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine
SMILESCCCCCCCC(=c1ccc2c(c1)Sc1cc(N(C)C)ccc1N=2)N(C)C
InChIInChI=1S/C24H33N3S/c1-6-7-8-9-10-11-22(27(4)5)18-12-14-20-23(16-18)28-24-17-19(26(2)3)13-15-21(24)25-20/h12-17H,6-11H2,1-5H3
InChIKeyUWWGOIVGZKWGFT-UHFFFAOYSA-N
MW395.62 g/mol
LogP5.20
Rot. Bonds8

About 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine

7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine (PubChem CID 172547145) has the molecular formula C24H33N3S and a molecular weight of 395.62 g/mol. Its IUPAC name is 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine.

Molecular Properties

Compound Name7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine
PubChem CID172547145
Molecular FormulaC24H33N3S
Molecular Weight395.62 g/mol
Exact Mass395.24
IUPAC Name7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine
SMILESCCCCCCCC(=c1ccc2c(c1)Sc1cc(N(C)C)ccc1N=2)N(C)C
InChIInChI=1S/C24H33N3S/c1-6-7-8-9-10-11-22(27(4)5)18-12-14-20-23(16-18)28-24-17-19(26(2)3)13-15-21(24)25-20/h12-17H,6-11H2,1-5H3
InChIKeyUWWGOIVGZKWGFT-UHFFFAOYSA-N
XLogP5.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine?
The IUPAC name of 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine (CID 172547145) is 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine.
What is the SMILES notation for 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine?
The canonical SMILES for 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine is CCCCCCCC(=c1ccc2c(c1)Sc1cc(N(C)C)ccc1N=2)N(C)C.
What is the InChIKey of 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine?
The InChIKey is UWWGOIVGZKWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3S/c1-6-7-8-9-10-11-22(27(4)5)18-12-14-20-23(16-18)28-24-17-19(26(2)3)13-15-21(24)25-20/h12-17H,6-11H2,1-5H3.
What are the key properties of 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine?
7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine has a molecular weight of 395.62 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(dimethylamino)octylidene]-N,N-dimethylphenothiazin-3-amine is sourced from PubChem (CID 172547145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).