N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine

C18H21N3O — CID 3084843

IUPACN-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine
SMILESCC/N=c1\cc2oc3cc(NCC)c(C)cc3nc-2cc1C
InChIInChI=1S/C18H21N3O/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17/h7-10,19H,5-6H2,1-4H3/b20-14+
InChIKeyPWLZRLVLUJPWOB-XSFVSMFZSA-N
MW295.39 g/mol
LogP3.90
Rot. Bonds3

About N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine

N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine (PubChem CID 3084843) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine.

Molecular Properties

Compound NameN-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine
PubChem CID3084843
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine
SMILESCC/N=c1\cc2oc3cc(NCC)c(C)cc3nc-2cc1C
InChIInChI=1S/C18H21N3O/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17/h7-10,19H,5-6H2,1-4H3/b20-14+
InChIKeyPWLZRLVLUJPWOB-XSFVSMFZSA-N
XLogP3.90
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine?
The IUPAC name of N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine (CID 3084843) is N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine.
What is the SMILES notation for N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine?
The canonical SMILES for N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine is CC/N=c1\cc2oc3cc(NCC)c(C)cc3nc-2cc1C.
What is the InChIKey of N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine?
The InChIKey is PWLZRLVLUJPWOB-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H21N3O/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17/h7-10,19H,5-6H2,1-4H3/b20-14+.
What are the key properties of N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine?
N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine has a molecular weight of 295.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-ethylimino-2,8-dimethylphenoxazin-3-amine is sourced from PubChem (CID 3084843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).