1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine

C14H22N2 — CID 122596953

IUPAC1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine
SMILESC=CC1C=C(C)C(N2CCNC2C)=C(C)C1
InChIInChI=1S/C14H22N2/c1-5-13-8-10(2)14(11(3)9-13)16-7-6-15-12(16)4/h5,8,12-13,15H,1,6-7,9H2,2-4H3
InChIKeyPCHSCALXYPGXEK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.66
Rot. Bonds2

About 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine

1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine (PubChem CID 122596953) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine.

Molecular Properties

Compound Name1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine
PubChem CID122596953
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine
SMILESC=CC1C=C(C)C(N2CCNC2C)=C(C)C1
InChIInChI=1S/C14H22N2/c1-5-13-8-10(2)14(11(3)9-13)16-7-6-15-12(16)4/h5,8,12-13,15H,1,6-7,9H2,2-4H3
InChIKeyPCHSCALXYPGXEK-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine?
The IUPAC name of 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine (CID 122596953) is 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine.
What is the SMILES notation for 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine?
The canonical SMILES for 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine is C=CC1C=C(C)C(N2CCNC2C)=C(C)C1.
What is the InChIKey of 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine?
The InChIKey is PCHSCALXYPGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-13-8-10(2)14(11(3)9-13)16-7-6-15-12(16)4/h5,8,12-13,15H,1,6-7,9H2,2-4H3.
What are the key properties of 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine?
1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine has a molecular weight of 218.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine is sourced from PubChem (CID 122596953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).