ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline

C11H16N2 — CID 143177363

IUPACethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline
SMILESC=N/C=C\Nc1ccccc1.CC
InChIInChI=1S/C9H10N2.C2H6/c1-10-7-8-11-9-5-3-2-4-6-9;1-2/h2-8,11H,1H2;1-2H3/b8-7-;
InChIKeyGFMNEKPLUQTDPT-CFYXSCKTSA-N
MW176.26 g/mol
LogP3.30
Rot. Bonds3

About ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline

ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline (PubChem CID 143177363) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline
PubChem CID143177363
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline
SMILESC=N/C=C\Nc1ccccc1.CC
InChIInChI=1S/C9H10N2.C2H6/c1-10-7-8-11-9-5-3-2-4-6-9;1-2/h2-8,11H,1H2;1-2H3/b8-7-;
InChIKeyGFMNEKPLUQTDPT-CFYXSCKTSA-N
XLogP3.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
N-ethenylaniline;methanamine
CID 143723226
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
N-[(1E)-penta-1,4-dienyl]aniline
CID 142183076
but-1-ene;N-ethenylaniline
CID 142853623
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
CID 91997009
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593
(Z)-3-anilinoprop-2-enamide
CID 143937122
1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
CID 150631626

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline?
The IUPAC name of ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline (CID 143177363) is ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline.
What is the SMILES notation for ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline?
The canonical SMILES for ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline is C=N/C=C\Nc1ccccc1.CC.
What is the InChIKey of ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline?
The InChIKey is GFMNEKPLUQTDPT-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-10-7-8-11-9-5-3-2-4-6-9;1-2/h2-8,11H,1H2;1-2H3/b8-7-;.
What are the key properties of ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline?
ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline has a molecular weight of 176.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(methylideneamino)ethenyl]aniline is sourced from PubChem (CID 143177363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).