(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium

C9H21N2+ — CID 162290101

IUPAC(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium
SMILESCC[N@@+]1(C)CN(C)C(C)(C)C1
InChIInChI=1S/C9H21N2/c1-6-11(5)7-9(2,3)10(4)8-11/h6-8H2,1-5H3/q+1/t11-/m1/s1
InChIKeySOIZDLAPJDUFDB-LLVKDONJSA-N
MW157.28 g/mol
LogP1.13
Rot. Bonds1

About (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium

(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium (PubChem CID 162290101) has the molecular formula C9H21N2+ and a molecular weight of 157.28 g/mol. Its IUPAC name is (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium.

Molecular Properties

Compound Name(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium
PubChem CID162290101
Molecular FormulaC9H21N2+
Molecular Weight157.28 g/mol
Exact Mass157.17
IUPAC Name(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium
SMILESCC[N@@+]1(C)CN(C)C(C)(C)C1
InChIInChI=1S/C9H21N2/c1-6-11(5)7-9(2,3)10(4)8-11/h6-8H2,1-5H3/q+1/t11-/m1/s1
InChIKeySOIZDLAPJDUFDB-LLVKDONJSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium?
The IUPAC name of (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium (CID 162290101) is (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium.
What is the SMILES notation for (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium?
The canonical SMILES for (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium is CC[N@@+]1(C)CN(C)C(C)(C)C1.
What is the InChIKey of (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium?
The InChIKey is SOIZDLAPJDUFDB-LLVKDONJSA-N. The full InChI is InChI=1S/C9H21N2/c1-6-11(5)7-9(2,3)10(4)8-11/h6-8H2,1-5H3/q+1/t11-/m1/s1.
What are the key properties of (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium?
(1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium has a molecular weight of 157.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-1,3,4,4-tetramethylimidazolidin-1-ium is sourced from PubChem (CID 162290101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).