1-ethyl-3-methylimidazolidin-1-ium

C6H15N2+ — CID 59125521

IUPAC1-ethyl-3-methylimidazolidin-1-ium
SMILESCC[NH+]1CCN(C)C1
InChIInChI=1S/C6H14N2/c1-3-8-5-4-7(2)6-8/h3-6H2,1-2H3/p+1
InChIKeyJOTQIXXCBHIDKJ-UHFFFAOYSA-O
MW115.20 g/mol
LogP-1.21
Rot. Bonds1

About 1-ethyl-3-methylimidazolidin-1-ium

1-ethyl-3-methylimidazolidin-1-ium (PubChem CID 59125521) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazolidin-1-ium.

Molecular Properties

Compound Name1-ethyl-3-methylimidazolidin-1-ium
PubChem CID59125521
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name1-ethyl-3-methylimidazolidin-1-ium
SMILESCC[NH+]1CCN(C)C1
InChIInChI=1S/C6H14N2/c1-3-8-5-4-7(2)6-8/h3-6H2,1-2H3/p+1
InChIKeyJOTQIXXCBHIDKJ-UHFFFAOYSA-O
XLogP-1.21
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Imidazolidine
CID 449488
N-Ethylimidazolidin-2-thione
CID 3036348
N-(2-(Imidazolidin-1-yl)ethyl)ethylenediamine
CID 111567
1-Ethylimidazolidine
CID 22466025
Fluoromethylimidazolidine
CID 129815073
2-Methylimidazolidine
CID 5255485
1H-Imidazolium, 2-chloro-4,5-dihydro-1,3-dimethyl-, chloride
CID 10986715
Trimethylimidazolidine
CID 17895931
1-Methylimidazolidin-3-ium
CID 18172752
1-Methylimidazolidine
CID 18172753
1-Butylimidazolidine
CID 19604048
2-Aminoimidazolidine
CID 20230643

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazolidin-1-ium?
The IUPAC name of 1-ethyl-3-methylimidazolidin-1-ium (CID 59125521) is 1-ethyl-3-methylimidazolidin-1-ium.
What is the SMILES notation for 1-ethyl-3-methylimidazolidin-1-ium?
The canonical SMILES for 1-ethyl-3-methylimidazolidin-1-ium is CC[NH+]1CCN(C)C1.
What is the InChIKey of 1-ethyl-3-methylimidazolidin-1-ium?
The InChIKey is JOTQIXXCBHIDKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2/c1-3-8-5-4-7(2)6-8/h3-6H2,1-2H3/p+1.
What are the key properties of 1-ethyl-3-methylimidazolidin-1-ium?
1-ethyl-3-methylimidazolidin-1-ium has a molecular weight of 115.20 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazolidin-1-ium is sourced from PubChem (CID 59125521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).