1,3-dimethylimidazol-1-ium;dimethylphosphane

C7H16N2P+ — CID 158359102

IUPAC1,3-dimethylimidazol-1-ium;dimethylphosphane
SMILESCPC.Cn1cc[n+](C)c1
InChIInChI=1S/C5H9N2.C2H7P/c1-6-3-4-7(2)5-6;1-3-2/h3-5H,1-2H3;3H,1-2H3/q+1;
InChIKeyGTGDCQKUKSIIJG-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.77
Rot. Bonds

About 1,3-dimethylimidazol-1-ium;dimethylphosphane

1,3-dimethylimidazol-1-ium;dimethylphosphane (PubChem CID 158359102) has the molecular formula C7H16N2P+ and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,3-dimethylimidazol-1-ium;dimethylphosphane.

Molecular Properties

Compound Name1,3-dimethylimidazol-1-ium;dimethylphosphane
PubChem CID158359102
Molecular FormulaC7H16N2P+
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1,3-dimethylimidazol-1-ium;dimethylphosphane
SMILESCPC.Cn1cc[n+](C)c1
InChIInChI=1S/C5H9N2.C2H7P/c1-6-3-4-7(2)5-6;1-3-2/h3-5H,1-2H3;3H,1-2H3/q+1;
InChIKeyGTGDCQKUKSIIJG-UHFFFAOYSA-N
XLogP0.77
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-dimethylimidazol-1-ium;dimethylphosphane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethylimidazol-1-ium;ethane
CID 90798185
bis(1,3-dimethylimidazol-1-ium);hydroxy(methyl)phosphinate
CID 160712231
1,3-dimethylimidazol-1-ium;2-methoxy-2-oxoacetate
CID 86715077
diethyl phosphate;1,3-dimethylimidazol-1-ium
CID 89414393
1-methyl-3-(3-methylimidazol-3-ium-1-yl)imidazol-1-ium
CID 102495920
bis(prop-2-enyl) phosphate;1,3-dimethylimidazol-1-ium
CID 87765148
1-methyl-3-propylimidazol-1-ium;hydrofluoride
CID 175047022
1-methyl-3-(3-methylbutyl)imidazol-1-ium
CID 10489786
CID 56973030
CID 56973030
1-methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-1-ium;dimethylphosphane?
The IUPAC name of 1,3-dimethylimidazol-1-ium;dimethylphosphane (CID 158359102) is 1,3-dimethylimidazol-1-ium;dimethylphosphane.
What is the SMILES notation for 1,3-dimethylimidazol-1-ium;dimethylphosphane?
The canonical SMILES for 1,3-dimethylimidazol-1-ium;dimethylphosphane is CPC.Cn1cc[n+](C)c1.
What is the InChIKey of 1,3-dimethylimidazol-1-ium;dimethylphosphane?
The InChIKey is GTGDCQKUKSIIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2.C2H7P/c1-6-3-4-7(2)5-6;1-3-2/h3-5H,1-2H3;3H,1-2H3/q+1;.
What are the key properties of 1,3-dimethylimidazol-1-ium;dimethylphosphane?
1,3-dimethylimidazol-1-ium;dimethylphosphane has a molecular weight of 159.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-1-ium;dimethylphosphane is sourced from PubChem (CID 158359102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).