1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

C21H32N2 — CID 123404948

IUPAC1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C(C)C=C(C)C(=CC)N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3
InChIKeyNXXJEHDHSBACGU-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.25
Rot. Bonds4

About 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 123404948) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID123404948
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C(C)C=C(C)C(=CC)N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3
InChIKeyNXXJEHDHSBACGU-UHFFFAOYSA-N
XLogP5.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.25
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-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 123404948) is 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is C=C(C)C=C(C)C(=CC)N1CCN(C2=C(C)C=C(C)CC2C)C1.
What is the InChIKey of 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is NXXJEHDHSBACGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3.
What are the key properties of 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 312.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylhepta-2,4,6-trien-3-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 123404948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).