1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

C23H36N2 — CID 90077035

IUPAC1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C/C(C)=C\C(C)=C(/CC)N1CCN(C2=C(C)C=C(C)CC2C)C1C
InChIInChI=1S/C23H36N2/c1-9-16(3)13-18(5)22(10-2)24-11-12-25(21(24)8)23-19(6)14-17(4)15-20(23)7/h9,13-14,20-21H,1,10-12,15H2,2-8H3/b16-13-,22-18+
InChIKeyDFMYYKIBKPSOIW-YYUKJUQHSA-N
MW340.56 g/mol
LogP6.03
Rot. Bonds5

About 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 90077035) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID90077035
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C/C(C)=C\C(C)=C(/CC)N1CCN(C2=C(C)C=C(C)CC2C)C1C
InChIInChI=1S/C23H36N2/c1-9-16(3)13-18(5)22(10-2)24-11-12-25(21(24)8)23-19(6)14-17(4)15-20(23)7/h9,13-14,20-21H,1,10-12,15H2,2-8H3/b16-13-,22-18+
InChIKeyDFMYYKIBKPSOIW-YYUKJUQHSA-N
XLogP6.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 90077035) is 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is C=C/C(C)=C\C(C)=C(/CC)N1CCN(C2=C(C)C=C(C)CC2C)C1C.
What is the InChIKey of 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is DFMYYKIBKPSOIW-YYUKJUQHSA-N. The full InChI is InChI=1S/C23H36N2/c1-9-16(3)13-18(5)22(10-2)24-11-12-25(21(24)8)23-19(6)14-17(4)15-20(23)7/h9,13-14,20-21H,1,10-12,15H2,2-8H3/b16-13-,22-18+.
What are the key properties of 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 340.56 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 90077035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).