2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium

C22H37N2+ — CID 130217545

IUPAC2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium
SMILESCC(C)=CC1CC(C=C(C)C)C(CC(C)Cc2n(C)cc[n+]2C)C1
InChIInChI=1S/C22H37N2/c1-16(2)10-19-14-20(11-17(3)4)21(15-19)12-18(5)13-22-23(6)8-9-24(22)7/h8-11,18-21H,12-15H2,1-7H3/q+1
InChIKeyVYCYKTZRQUJVLP-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.99
Rot. Bonds6

About 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium

2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium (PubChem CID 130217545) has the molecular formula C22H37N2+ and a molecular weight of 329.55 g/mol. Its IUPAC name is 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium.

Molecular Properties

Compound Name2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium
PubChem CID130217545
Molecular FormulaC22H37N2+
Molecular Weight329.55 g/mol
Exact Mass329.30
IUPAC Name2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium
SMILESCC(C)=CC1CC(C=C(C)C)C(CC(C)Cc2n(C)cc[n+]2C)C1
InChIInChI=1S/C22H37N2/c1-16(2)10-19-14-20(11-17(3)4)21(15-19)12-18(5)13-22-23(6)8-9-24(22)7/h8-11,18-21H,12-15H2,1-7H3/q+1
InChIKeyVYCYKTZRQUJVLP-UHFFFAOYSA-N
XLogP4.99
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium?
The IUPAC name of 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium (CID 130217545) is 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium.
What is the SMILES notation for 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium?
The canonical SMILES for 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium is CC(C)=CC1CC(C=C(C)C)C(CC(C)Cc2n(C)cc[n+]2C)C1.
What is the InChIKey of 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium?
The InChIKey is VYCYKTZRQUJVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N2/c1-16(2)10-19-14-20(11-17(3)4)21(15-19)12-18(5)13-22-23(6)8-9-24(22)7/h8-11,18-21H,12-15H2,1-7H3/q+1.
What are the key properties of 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium?
2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium has a molecular weight of 329.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,4-bis(2-methylprop-1-enyl)cyclopentyl]-2-methylpropyl]-1,3-dimethylimidazol-1-ium is sourced from PubChem (CID 130217545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).