5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium

C8H16N2+2 — CID 58443705

IUPAC5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
SMILESCC(C)(C)CC1=C[NH+]=C[NH2+]1
InChIInChI=1S/C8H14N2/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3,(H,9,10)/p+2
InChIKeySNIKBAFYLKPFTI-UHFFFAOYSA-P
MW140.23 g/mol
LogP-1.05
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium

5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium (PubChem CID 58443705) has the molecular formula C8H16N2+2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
PubChem CID58443705
Molecular FormulaC8H16N2+2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
SMILESCC(C)(C)CC1=C[NH+]=C[NH2+]1
InChIInChI=1S/C8H14N2/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3,(H,9,10)/p+2
InChIKeySNIKBAFYLKPFTI-UHFFFAOYSA-P
XLogP-1.05
TPSA30.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine
CID 58468581
1-butyl-4-ethyl-1H-imidazol-1-ium bromide
CID 118093705
N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
CID 143220525
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738
N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide
CID 177161884

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium (CID 58443705) is 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium is CC(C)(C)CC1=C[NH+]=C[NH2+]1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium?
The InChIKey is SNIKBAFYLKPFTI-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3,(H,9,10)/p+2.
What are the key properties of 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium?
5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium has a molecular weight of 140.23 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium is sourced from PubChem (CID 58443705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).