1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium

C12H27N2+ — CID 162281355

IUPAC1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium
SMILESCCCC1CN(CC(C)C)C[N+]1(C)C
InChIInChI=1S/C12H27N2/c1-6-7-12-9-13(8-11(2)3)10-14(12,4)5/h11-12H,6-10H2,1-5H3/q+1
InChIKeyLNTSCTFCMIXFEO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.16
Rot. Bonds4

About 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium

1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium (PubChem CID 162281355) has the molecular formula C12H27N2+ and a molecular weight of 199.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium
PubChem CID162281355
Molecular FormulaC12H27N2+
Molecular Weight199.36 g/mol
Exact Mass199.22
IUPAC Name1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium
SMILESCCCC1CN(CC(C)C)C[N+]1(C)C
InChIInChI=1S/C12H27N2/c1-6-7-12-9-13(8-11(2)3)10-14(12,4)5/h11-12H,6-10H2,1-5H3/q+1
InChIKeyLNTSCTFCMIXFEO-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium?
The IUPAC name of 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium (CID 162281355) is 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium?
The canonical SMILES for 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium is CCCC1CN(CC(C)C)C[N+]1(C)C.
What is the InChIKey of 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium?
The InChIKey is LNTSCTFCMIXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2/c1-6-7-12-9-13(8-11(2)3)10-14(12,4)5/h11-12H,6-10H2,1-5H3/q+1.
What are the key properties of 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium?
1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium has a molecular weight of 199.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylpropyl)-5-propylimidazolidin-1-ium is sourced from PubChem (CID 162281355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).