(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium

C10H23N2+ — CID 162289808

IUPAC(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium
SMILESCCC1C[N@@+](C)(CC)CN1CC
InChIInChI=1S/C10H23N2/c1-5-10-8-12(4,7-3)9-11(10)6-2/h10H,5-9H2,1-4H3/q+1/t10?,12-/m1/s1
InChIKeyZPOWBZSTXWLVGF-TVKKRMFBSA-N
MW171.31 g/mol
LogP1.52
Rot. Bonds3

About (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium

(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium (PubChem CID 162289808) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium.

Molecular Properties

Compound Name(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium
PubChem CID162289808
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium
SMILESCCC1C[N@@+](C)(CC)CN1CC
InChIInChI=1S/C10H23N2/c1-5-10-8-12(4,7-3)9-11(10)6-2/h10H,5-9H2,1-4H3/q+1/t10?,12-/m1/s1
InChIKeyZPOWBZSTXWLVGF-TVKKRMFBSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.52
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)-1,3,4-triethyl-1-methylimidazolidin-1-ium?
The IUPAC name of (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium (CID 162289808) is (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium.
What is the SMILES notation for (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium?
The canonical SMILES for (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium is CCC1C[N@@+](C)(CC)CN1CC.
What is the InChIKey of (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium?
The InChIKey is ZPOWBZSTXWLVGF-TVKKRMFBSA-N. The full InChI is InChI=1S/C10H23N2/c1-5-10-8-12(4,7-3)9-11(10)6-2/h10H,5-9H2,1-4H3/q+1/t10?,12-/m1/s1.
What are the key properties of (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium?
(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium has a molecular weight of 171.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium is sourced from PubChem (CID 162289808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).