2-(2-ethenyliminoethylideneamino)-N-methylaniline

C11H13N3 — CID 142273086

IUPAC2-(2-ethenyliminoethylideneamino)-N-methylaniline
SMILESC=C/N=C/C=N/c1ccccc1NC
InChIInChI=1S/C11H13N3/c1-3-13-8-9-14-11-7-5-4-6-10(11)12-2/h3-9,12H,1H2,2H3/b13-8+,14-9+
InChIKeyVXXMMCPTFLQGPR-UQNWOCKMSA-N
MW187.25 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-ethenyliminoethylideneamino)-N-methylaniline

2-(2-ethenyliminoethylideneamino)-N-methylaniline (PubChem CID 142273086) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(2-ethenyliminoethylideneamino)-N-methylaniline.

Molecular Properties

Compound Name2-(2-ethenyliminoethylideneamino)-N-methylaniline
PubChem CID142273086
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(2-ethenyliminoethylideneamino)-N-methylaniline
SMILESC=C/N=C/C=N/c1ccccc1NC
InChIInChI=1S/C11H13N3/c1-3-13-8-9-14-11-7-5-4-6-10(11)12-2/h3-9,12H,1H2,2H3/b13-8+,14-9+
InChIKeyVXXMMCPTFLQGPR-UQNWOCKMSA-N
XLogP2.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-ethenyliminoethylideneamino)-N-methylaniline?
The IUPAC name of 2-(2-ethenyliminoethylideneamino)-N-methylaniline (CID 142273086) is 2-(2-ethenyliminoethylideneamino)-N-methylaniline.
What is the SMILES notation for 2-(2-ethenyliminoethylideneamino)-N-methylaniline?
The canonical SMILES for 2-(2-ethenyliminoethylideneamino)-N-methylaniline is C=C/N=C/C=N/c1ccccc1NC.
What is the InChIKey of 2-(2-ethenyliminoethylideneamino)-N-methylaniline?
The InChIKey is VXXMMCPTFLQGPR-UQNWOCKMSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-13-8-9-14-11-7-5-4-6-10(11)12-2/h3-9,12H,1H2,2H3/b13-8+,14-9+.
What are the key properties of 2-(2-ethenyliminoethylideneamino)-N-methylaniline?
2-(2-ethenyliminoethylideneamino)-N-methylaniline has a molecular weight of 187.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyliminoethylideneamino)-N-methylaniline is sourced from PubChem (CID 142273086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).