1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium

C11H25N2+ — CID 162289829

IUPAC1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium
SMILESCCCC1CN(C)C[N+]1(CC)CC
InChIInChI=1S/C11H25N2/c1-5-8-11-9-12(4)10-13(11,6-2)7-3/h11H,5-10H2,1-4H3/q+1
InChIKeyCIAHYBBQFUUQDN-UHFFFAOYSA-N
MW185.34 g/mol
LogP1.91
Rot. Bonds4

About 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium

1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium (PubChem CID 162289829) has the molecular formula C11H25N2+ and a molecular weight of 185.34 g/mol. Its IUPAC name is 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium.

Molecular Properties

Compound Name1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium
PubChem CID162289829
Molecular FormulaC11H25N2+
Molecular Weight185.34 g/mol
Exact Mass185.20
IUPAC Name1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium
SMILESCCCC1CN(C)C[N+]1(CC)CC
InChIInChI=1S/C11H25N2/c1-5-8-11-9-12(4)10-13(11,6-2)7-3/h11H,5-10H2,1-4H3/q+1
InChIKeyCIAHYBBQFUUQDN-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 51.91
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 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium?
The IUPAC name of 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium (CID 162289829) is 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium.
What is the SMILES notation for 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium?
The canonical SMILES for 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium is CCCC1CN(C)C[N+]1(CC)CC.
What is the InChIKey of 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium?
The InChIKey is CIAHYBBQFUUQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2/c1-5-8-11-9-12(4)10-13(11,6-2)7-3/h11H,5-10H2,1-4H3/q+1.
What are the key properties of 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium?
1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium has a molecular weight of 185.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methyl-5-propylimidazolidin-1-ium is sourced from PubChem (CID 162289829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).