N-ethyl-7-ethyliminophenoxazin-3-amine

C16H17N3O — CID 101087626

IUPACN-ethyl-7-ethyliminophenoxazin-3-amine
SMILESCC/N=c1\ccc2nc3ccc(NCC)cc3oc-2c1
InChIInChI=1S/C16H17N3O/c1-3-17-11-5-7-13-15(9-11)20-16-10-12(18-4-2)6-8-14(16)19-13/h5-10,17H,3-4H2,1-2H3/b18-12+
InChIKeyQBGMUCLDNKKEKZ-LDADJPATSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds3

About N-ethyl-7-ethyliminophenoxazin-3-amine

N-ethyl-7-ethyliminophenoxazin-3-amine (PubChem CID 101087626) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-7-ethyliminophenoxazin-3-amine.

Molecular Properties

Compound NameN-ethyl-7-ethyliminophenoxazin-3-amine
PubChem CID101087626
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-7-ethyliminophenoxazin-3-amine
SMILESCC/N=c1\ccc2nc3ccc(NCC)cc3oc-2c1
InChIInChI=1S/C16H17N3O/c1-3-17-11-5-7-13-15(9-11)20-16-10-12(18-4-2)6-8-14(16)19-13/h5-10,17H,3-4H2,1-2H3/b18-12+
InChIKeyQBGMUCLDNKKEKZ-LDADJPATSA-N
XLogP3.29
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-7-ethyliminophenoxazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-ethyliminophenoxazin-3-amine?
The IUPAC name of N-ethyl-7-ethyliminophenoxazin-3-amine (CID 101087626) is N-ethyl-7-ethyliminophenoxazin-3-amine.
What is the SMILES notation for N-ethyl-7-ethyliminophenoxazin-3-amine?
The canonical SMILES for N-ethyl-7-ethyliminophenoxazin-3-amine is CC/N=c1\ccc2nc3ccc(NCC)cc3oc-2c1.
What is the InChIKey of N-ethyl-7-ethyliminophenoxazin-3-amine?
The InChIKey is QBGMUCLDNKKEKZ-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-17-11-5-7-13-15(9-11)20-16-10-12(18-4-2)6-8-14(16)19-13/h5-10,17H,3-4H2,1-2H3/b18-12+.
What are the key properties of N-ethyl-7-ethyliminophenoxazin-3-amine?
N-ethyl-7-ethyliminophenoxazin-3-amine has a molecular weight of 267.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-ethyliminophenoxazin-3-amine is sourced from PubChem (CID 101087626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).