ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline

C12H19N3 — CID 145229974

IUPACethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline
SMILESCC.[H]/N=C/C=N\Nc1cccc(C)c1C
InChIInChI=1S/C10H13N3.C2H6/c1-8-4-3-5-10(9(8)2)13-12-7-6-11;1-2/h3-7,11,13H,1-2H3;1-2H3/b11-6+,12-7-;
InChIKeyNQGGKSOISPROOI-WDWSCYOBSA-N
MW205.30 g/mol
LogP3.38
Rot. Bonds3

About ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline

ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline (PubChem CID 145229974) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline.

Molecular Properties

Compound Nameethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline
PubChem CID145229974
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline
SMILESCC.[H]/N=C/C=N\Nc1cccc(C)c1C
InChIInChI=1S/C10H13N3.C2H6/c1-8-4-3-5-10(9(8)2)13-12-7-6-11;1-2/h3-7,11,13H,1-2H3;1-2H3/b11-6+,12-7-;
InChIKeyNQGGKSOISPROOI-WDWSCYOBSA-N
XLogP3.38
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline 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 ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline?
The IUPAC name of ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline (CID 145229974) is ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline.
What is the SMILES notation for ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline?
The canonical SMILES for ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline is CC.[H]/N=C/C=N\Nc1cccc(C)c1C.
What is the InChIKey of ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline?
The InChIKey is NQGGKSOISPROOI-WDWSCYOBSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-8-4-3-5-10(9(8)2)13-12-7-6-11;1-2/h3-7,11,13H,1-2H3;1-2H3/b11-6+,12-7-;.
What are the key properties of ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline?
ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-iminoethylideneamino]-2,3-dimethylaniline is sourced from PubChem (CID 145229974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).