2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium

C8H17N2+ — CID 22895089

IUPAC2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium
SMILESCC1=[N+](C)C(C)(C)NC1C
InChIInChI=1S/C8H17N2/c1-6-7(2)10(5)8(3,4)9-6/h6,9H,1-5H3/q+1
InChIKeyZWAXXGMXUDRJJL-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.82
Rot. Bonds

About 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium

2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium (PubChem CID 22895089) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium
PubChem CID22895089
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium
SMILESCC1=[N+](C)C(C)(C)NC1C
InChIInChI=1S/C8H17N2/c1-6-7(2)10(5)8(3,4)9-6/h6,9H,1-5H3/q+1
InChIKeyZWAXXGMXUDRJJL-UHFFFAOYSA-N
XLogP0.82
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diethyl-2-methyl-1,5-dihydroimidazole
CID 10606828
InChI=1/C6H12N2/c1-5-4-7-6(2,3)8-5/h7H,4H2,1-3H
CID 10630458
2,2,4-Triethyl-5-methyl-1,5-dihydroimidazole
CID 11126673
2-Ethyl-2,4,5-trimethyl-1,5-dihydroimidazole
CID 21722565
2,2,4,5-Tetramethyl-1,5-dihydroimidazole
CID 21703187
2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium
CID 67531452
2-Ethyl-2,4-dimethyl-1,5-dihydroimidazole
CID 69685918
2,2,3,4,5-pentamethyl-4H-imidazole
CID 70230499
2,4-dimethyl-2,5-dihydro-1H-imidazole
CID 91098609
N-ethyl-N,6-dimethyl-1,2,5,6-tetrahydropyrimidin-2-amine
CID 91406826
N-[(butan-2-ylideneamino)methyl]propan-1-amine
CID 123164977
3-[[Ethyl(propyl)amino]methylimino]butan-1-amine
CID 123490871

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium?
The IUPAC name of 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium (CID 22895089) is 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium.
What is the SMILES notation for 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium?
The canonical SMILES for 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium is CC1=[N+](C)C(C)(C)NC1C.
What is the InChIKey of 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium?
The InChIKey is ZWAXXGMXUDRJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-6-7(2)10(5)8(3,4)9-6/h6,9H,1-5H3/q+1.
What are the key properties of 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium?
2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium has a molecular weight of 141.24 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5-pentamethyl-1,5-dihydroimidazol-3-ium is sourced from PubChem (CID 22895089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).