1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium

C14H31N2+ — CID 130191162

IUPAC1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium
SMILESCC(C)N1C(C)(C)C(C)(C)[N+](C)(C)C1(C)C
InChIInChI=1S/C14H31N2/c1-11(2)15-12(3,4)13(5,6)16(9,10)14(15,7)8/h11H,1-10H3/q+1
InChIKeyOJZBJXDZIWSOGW-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.08
Rot. Bonds1

About 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium

1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium (PubChem CID 130191162) has the molecular formula C14H31N2+ and a molecular weight of 227.42 g/mol. Its IUPAC name is 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium.

Molecular Properties

Compound Name1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium
PubChem CID130191162
Molecular FormulaC14H31N2+
Molecular Weight227.42 g/mol
Exact Mass227.25
IUPAC Name1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium
SMILESCC(C)N1C(C)(C)C(C)(C)[N+](C)(C)C1(C)C
InChIInChI=1S/C14H31N2/c1-11(2)15-12(3,4)13(5,6)16(9,10)14(15,7)8/h11H,1-10H3/q+1
InChIKeyOJZBJXDZIWSOGW-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium?
The IUPAC name of 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium (CID 130191162) is 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium.
What is the SMILES notation for 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium?
The canonical SMILES for 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium is CC(C)N1C(C)(C)C(C)(C)[N+](C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium?
The InChIKey is OJZBJXDZIWSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2/c1-11(2)15-12(3,4)13(5,6)16(9,10)14(15,7)8/h11H,1-10H3/q+1.
What are the key properties of 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium?
1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium has a molecular weight of 227.42 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4,5,5-octamethyl-3-propan-2-ylimidazolidin-1-ium is sourced from PubChem (CID 130191162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).