2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium

C11H22N2+2 — CID 58223827

IUPAC2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium
SMILESCC(C)=[N+]1CC[N+](=C(C)C)C1(C)C
InChIInChI=1S/C11H22N2/c1-9(2)12-7-8-13(10(3)4)11(12,5)6/h7-8H2,1-6H3/q+2
InChIKeyPNQUMEAQIUZGPP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.72
Rot. Bonds

About 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium

2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium (PubChem CID 58223827) has the molecular formula C11H22N2+2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium.

Molecular Properties

Compound Name2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium
PubChem CID58223827
Molecular FormulaC11H22N2+2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium
SMILESCC(C)=[N+]1CC[N+](=C(C)C)C1(C)C
InChIInChI=1S/C11H22N2/c1-9(2)12-7-8-13(10(3)4)11(12,5)6/h7-8H2,1-6H3/q+2
InChIKeyPNQUMEAQIUZGPP-UHFFFAOYSA-N
XLogP1.72
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium?
The IUPAC name of 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium (CID 58223827) is 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium.
What is the SMILES notation for 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium?
The canonical SMILES for 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium is CC(C)=[N+]1CC[N+](=C(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium?
The InChIKey is PNQUMEAQIUZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-7-8-13(10(3)4)11(12,5)6/h7-8H2,1-6H3/q+2.
What are the key properties of 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium?
2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium has a molecular weight of 182.31 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-di(propan-2-ylidene)imidazolidine-1,3-diium is sourced from PubChem (CID 58223827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).