3-ethyl-N-[1-(methylideneamino)ethenyl]aniline

C11H14N2 — CID 143798089

IUPAC3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
SMILESC=NC(=C)Nc1cccc(CC)c1
InChIInChI=1S/C11H14N2/c1-4-10-6-5-7-11(8-10)13-9(2)12-3/h5-8,13H,2-4H2,1H3
InChIKeyDNMYGLKNWDCFSN-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.83
Rot. Bonds4

About 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline

3-ethyl-N-[1-(methylideneamino)ethenyl]aniline (PubChem CID 143798089) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
PubChem CID143798089
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
SMILESC=NC(=C)Nc1cccc(CC)c1
InChIInChI=1S/C11H14N2/c1-4-10-6-5-7-11(8-10)13-9(2)12-3/h5-8,13H,2-4H2,1H3
InChIKeyDNMYGLKNWDCFSN-UHFFFAOYSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline?
The IUPAC name of 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline (CID 143798089) is 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline.
What is the SMILES notation for 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline?
The canonical SMILES for 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline is C=NC(=C)Nc1cccc(CC)c1.
What is the InChIKey of 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline?
The InChIKey is DNMYGLKNWDCFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-10-6-5-7-11(8-10)13-9(2)12-3/h5-8,13H,2-4H2,1H3.
What are the key properties of 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline?
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline has a molecular weight of 174.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(methylideneamino)ethenyl]aniline is sourced from PubChem (CID 143798089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).