3,5-diethyl-1,1-dimethylimidazolidin-1-ium

C9H21N2+ — CID 162289817

IUPAC3,5-diethyl-1,1-dimethylimidazolidin-1-ium
SMILESCCC1CN(CC)C[N+]1(C)C
InChIInChI=1S/C9H21N2/c1-5-9-7-10(6-2)8-11(9,3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyUCCDQDXCCBTEJJ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.13
Rot. Bonds2

About 3,5-diethyl-1,1-dimethylimidazolidin-1-ium

3,5-diethyl-1,1-dimethylimidazolidin-1-ium (PubChem CID 162289817) has the molecular formula C9H21N2+ and a molecular weight of 157.28 g/mol. Its IUPAC name is 3,5-diethyl-1,1-dimethylimidazolidin-1-ium.

Molecular Properties

Compound Name3,5-diethyl-1,1-dimethylimidazolidin-1-ium
PubChem CID162289817
Molecular FormulaC9H21N2+
Molecular Weight157.28 g/mol
Exact Mass157.17
IUPAC Name3,5-diethyl-1,1-dimethylimidazolidin-1-ium
SMILESCCC1CN(CC)C[N+]1(C)C
InChIInChI=1S/C9H21N2/c1-5-9-7-10(6-2)8-11(9,3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyUCCDQDXCCBTEJJ-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.13
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 3,5-diethyl-1,1-dimethylimidazolidin-1-ium?
The IUPAC name of 3,5-diethyl-1,1-dimethylimidazolidin-1-ium (CID 162289817) is 3,5-diethyl-1,1-dimethylimidazolidin-1-ium.
What is the SMILES notation for 3,5-diethyl-1,1-dimethylimidazolidin-1-ium?
The canonical SMILES for 3,5-diethyl-1,1-dimethylimidazolidin-1-ium is CCC1CN(CC)C[N+]1(C)C.
What is the InChIKey of 3,5-diethyl-1,1-dimethylimidazolidin-1-ium?
The InChIKey is UCCDQDXCCBTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2/c1-5-9-7-10(6-2)8-11(9,3)4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of 3,5-diethyl-1,1-dimethylimidazolidin-1-ium?
3,5-diethyl-1,1-dimethylimidazolidin-1-ium has a molecular weight of 157.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,1-dimethylimidazolidin-1-ium is sourced from PubChem (CID 162289817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).