diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium

C20H26N3O+ — CID 2735110

IUPACdiethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium
SMILESCCNc1cc2oc3cc(=[N+](CC)CC)c(C)cc-3nc2cc1C
InChIInChI=1S/C20H25N3O/c1-6-21-15-11-19-16(9-13(15)4)22-17-10-14(5)18(12-20(17)24-19)23(7-2)8-3/h9-12H,6-8H2,1-5H3/p+1
InChIKeyZVIZACRVGNKONJ-UHFFFAOYSA-O
MW324.45 g/mol
LogP3.79
Rot. Bonds4

About diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium

diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium (PubChem CID 2735110) has the molecular formula C20H26N3O+ and a molecular weight of 324.45 g/mol. Its IUPAC name is diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium.

Molecular Properties

Compound Namediethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium
PubChem CID2735110
Molecular FormulaC20H26N3O+
Molecular Weight324.45 g/mol
Exact Mass324.21
IUPAC Namediethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium
SMILESCCNc1cc2oc3cc(=[N+](CC)CC)c(C)cc-3nc2cc1C
InChIInChI=1S/C20H25N3O/c1-6-21-15-11-19-16(9-13(15)4)22-17-10-14(5)18(12-20(17)24-19)23(7-2)8-3/h9-12H,6-8H2,1-5H3/p+1
InChIKeyZVIZACRVGNKONJ-UHFFFAOYSA-O
XLogP3.79
TPSA41.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium?
The IUPAC name of diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium (CID 2735110) is diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium.
What is the SMILES notation for diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium?
The canonical SMILES for diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium is CCNc1cc2oc3cc(=[N+](CC)CC)c(C)cc-3nc2cc1C.
What is the InChIKey of diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium?
The InChIKey is ZVIZACRVGNKONJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O/c1-6-21-15-11-19-16(9-13(15)4)22-17-10-14(5)18(12-20(17)24-19)23(7-2)8-3/h9-12H,6-8H2,1-5H3/p+1.
What are the key properties of diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium?
diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium has a molecular weight of 324.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium is sourced from PubChem (CID 2735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).