1-ethyl-1,3-dimethylimidazolidin-1-ium

C7H17N2+ — CID 89173636

IUPAC1-ethyl-1,3-dimethylimidazolidin-1-ium
SMILESCC[N+]1(C)CCN(C)C1
InChIInChI=1S/C7H17N2/c1-4-9(3)6-5-8(2)7-9/h4-7H2,1-3H3/q+1
InChIKeyNXUKJKZCXRXFBX-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-1,3-dimethylimidazolidin-1-ium

1-ethyl-1,3-dimethylimidazolidin-1-ium (PubChem CID 89173636) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylimidazolidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylimidazolidin-1-ium
PubChem CID89173636
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name1-ethyl-1,3-dimethylimidazolidin-1-ium
SMILESCC[N+]1(C)CCN(C)C1
InChIInChI=1S/C7H17N2/c1-4-9(3)6-5-8(2)7-9/h4-7H2,1-3H3/q+1
InChIKeyNXUKJKZCXRXFBX-UHFFFAOYSA-N
XLogP0.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.36
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-ethyl-1,3-dimethylimidazolidin-1-ium?
The IUPAC name of 1-ethyl-1,3-dimethylimidazolidin-1-ium (CID 89173636) is 1-ethyl-1,3-dimethylimidazolidin-1-ium.
What is the SMILES notation for 1-ethyl-1,3-dimethylimidazolidin-1-ium?
The canonical SMILES for 1-ethyl-1,3-dimethylimidazolidin-1-ium is CC[N+]1(C)CCN(C)C1.
What is the InChIKey of 1-ethyl-1,3-dimethylimidazolidin-1-ium?
The InChIKey is NXUKJKZCXRXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-4-9(3)6-5-8(2)7-9/h4-7H2,1-3H3/q+1.
What are the key properties of 1-ethyl-1,3-dimethylimidazolidin-1-ium?
1-ethyl-1,3-dimethylimidazolidin-1-ium has a molecular weight of 129.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethylimidazolidin-1-ium is sourced from PubChem (CID 89173636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).