1,1,2-trimethylimidazol-1-ium-4-amine

C6H12N3+ — CID 69338410

IUPAC1,1,2-trimethylimidazol-1-ium-4-amine
SMILESCC1=NC(N)=C[N+]1(C)C
InChIInChI=1S/C6H12N3/c1-5-8-6(7)4-9(5,2)3/h4H,7H2,1-3H3/q+1
InChIKeyJWMDIZVPGLEISQ-UHFFFAOYSA-N
MW126.18 g/mol
LogP0.25
Rot. Bonds

About 1,1,2-trimethylimidazol-1-ium-4-amine

1,1,2-trimethylimidazol-1-ium-4-amine (PubChem CID 69338410) has the molecular formula C6H12N3+ and a molecular weight of 126.18 g/mol. Its IUPAC name is 1,1,2-trimethylimidazol-1-ium-4-amine.

Molecular Properties

Compound Name1,1,2-trimethylimidazol-1-ium-4-amine
PubChem CID69338410
Molecular FormulaC6H12N3+
Molecular Weight126.18 g/mol
Exact Mass126.10
IUPAC Name1,1,2-trimethylimidazol-1-ium-4-amine
SMILESCC1=NC(N)=C[N+]1(C)C
InChIInChI=1S/C6H12N3/c1-5-8-6(7)4-9(5,2)3/h4H,7H2,1-3H3/q+1
InChIKeyJWMDIZVPGLEISQ-UHFFFAOYSA-N
XLogP0.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethylimidazolium chloride
CID 66809752
N'-[1-(fluoroamino)ethenyl]-N,N-dimethylethanimidamide
CID 173980313
5-Lithio-1,2-dimethylimidazole
CID 129870842
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1,1,2-Trimethylimidazol-1-ium bromide
CID 21650256
1,1,2-Trimethylimidazol-1-ium
CID 21650257
1-Ethenyl-1,2-dimethylimidazol-1-ium chloride
CID 22400013
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
2,3-dimethyl-4H-imidazol-4-ide;yttrium
CID 60087235
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
CID 66874945
1,2-dimethyl-1H-imidazol-1-ium iodide
CID 67060368
1-Ethyl-1,2-dimethylimidazol-1-ium
CID 67388276

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylimidazol-1-ium-4-amine?
The IUPAC name of 1,1,2-trimethylimidazol-1-ium-4-amine (CID 69338410) is 1,1,2-trimethylimidazol-1-ium-4-amine.
What is the SMILES notation for 1,1,2-trimethylimidazol-1-ium-4-amine?
The canonical SMILES for 1,1,2-trimethylimidazol-1-ium-4-amine is CC1=NC(N)=C[N+]1(C)C.
What is the InChIKey of 1,1,2-trimethylimidazol-1-ium-4-amine?
The InChIKey is JWMDIZVPGLEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3/c1-5-8-6(7)4-9(5,2)3/h4H,7H2,1-3H3/q+1.
What are the key properties of 1,1,2-trimethylimidazol-1-ium-4-amine?
1,1,2-trimethylimidazol-1-ium-4-amine has a molecular weight of 126.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylimidazol-1-ium-4-amine is sourced from PubChem (CID 69338410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).