N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline

C14H18N4 — CID 138494759

IUPACN-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
SMILESCCN(C)c1ccc(/N=C/c2nccn2C)cc1
InChIInChI=1S/C14H18N4/c1-4-17(2)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)3/h5-11H,4H2,1-3H3/b16-11+
InChIKeyQOEZTAGAYXCHHF-LFIBNONCSA-N
MW242.33 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline

N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline (PubChem CID 138494759) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
PubChem CID138494759
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
SMILESCCN(C)c1ccc(/N=C/c2nccn2C)cc1
InChIInChI=1S/C14H18N4/c1-4-17(2)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)3/h5-11H,4H2,1-3H3/b16-11+
InChIKeyQOEZTAGAYXCHHF-LFIBNONCSA-N
XLogP2.63
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline?
The IUPAC name of N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline (CID 138494759) is N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline.
What is the SMILES notation for N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline?
The canonical SMILES for N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline is CCN(C)c1ccc(/N=C/c2nccn2C)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline?
The InChIKey is QOEZTAGAYXCHHF-LFIBNONCSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-17(2)13-7-5-12(6-8-13)16-11-14-15-9-10-18(14)3/h5-11H,4H2,1-3H3/b16-11+.
What are the key properties of N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline?
N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline has a molecular weight of 242.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline is sourced from PubChem (CID 138494759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).