4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine

C11H17N3 — CID 68779186

IUPAC4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine
SMILESCCC1=CCC(=NC2NCCN2)C=C1
InChIInChI=1S/C11H17N3/c1-2-9-3-5-10(6-4-9)14-11-12-7-8-13-11/h3-5,11-13H,2,6-8H2,1H3
InChIKeyQVXPRLMYLKZALQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.20
Rot. Bonds2

About 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine

4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 68779186) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID68779186
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine
SMILESCCC1=CCC(=NC2NCCN2)C=C1
InChIInChI=1S/C11H17N3/c1-2-9-3-5-10(6-4-9)14-11-12-7-8-13-11/h3-5,11-13H,2,6-8H2,1H3
InChIKeyQVXPRLMYLKZALQ-UHFFFAOYSA-N
XLogP1.20
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
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 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine (CID 68779186) is 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine is CCC1=CCC(=NC2NCCN2)C=C1.
What is the InChIKey of 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is QVXPRLMYLKZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9-3-5-10(6-4-9)14-11-12-7-8-13-11/h3-5,11-13H,2,6-8H2,1H3.
What are the key properties of 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine?
4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 191.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-imidazolidin-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 68779186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).