1,2-dimethylimidazol-1-ium-1-amine

C5H10N3+ — CID 22402096

IUPAC1,2-dimethylimidazol-1-ium-1-amine
SMILESCC1=NC=C[N+]1(C)N
InChIInChI=1S/C5H10N3/c1-5-7-3-4-8(5,2)6/h3-4H,6H2,1-2H3/q+1
InChIKeyLOAMPXVQDVHOTO-UHFFFAOYSA-N
MW112.16 g/mol
LogP0.21
Rot. Bonds

About 1,2-dimethylimidazol-1-ium-1-amine

1,2-dimethylimidazol-1-ium-1-amine (PubChem CID 22402096) has the molecular formula C5H10N3+ and a molecular weight of 112.16 g/mol. Its IUPAC name is 1,2-dimethylimidazol-1-ium-1-amine.

Molecular Properties

Compound Name1,2-dimethylimidazol-1-ium-1-amine
PubChem CID22402096
Molecular FormulaC5H10N3+
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name1,2-dimethylimidazol-1-ium-1-amine
SMILESCC1=NC=C[N+]1(C)N
InChIInChI=1S/C5H10N3/c1-5-7-3-4-8(5,2)6/h3-4H,6H2,1-2H3/q+1
InChIKeyLOAMPXVQDVHOTO-UHFFFAOYSA-N
XLogP0.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazol-1-ium-1-amine?
The IUPAC name of 1,2-dimethylimidazol-1-ium-1-amine (CID 22402096) is 1,2-dimethylimidazol-1-ium-1-amine.
What is the SMILES notation for 1,2-dimethylimidazol-1-ium-1-amine?
The canonical SMILES for 1,2-dimethylimidazol-1-ium-1-amine is CC1=NC=C[N+]1(C)N.
What is the InChIKey of 1,2-dimethylimidazol-1-ium-1-amine?
The InChIKey is LOAMPXVQDVHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3/c1-5-7-3-4-8(5,2)6/h3-4H,6H2,1-2H3/q+1.
What are the key properties of 1,2-dimethylimidazol-1-ium-1-amine?
1,2-dimethylimidazol-1-ium-1-amine has a molecular weight of 112.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazol-1-ium-1-amine is sourced from PubChem (CID 22402096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).