N,3-dimethylimidazol-4-amine

C5H9N3 — CID 12603288

IUPACN,3-dimethylimidazol-4-amine
SMILESCNc1cncn1C
InChIInChI=1S/C5H9N3/c1-6-5-3-7-4-8(5)2/h3-4,6H,1-2H3
InChIKeyJQZPHNUZEVAIJA-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.46
Rot. Bonds1

About N,3-dimethylimidazol-4-amine

N,3-dimethylimidazol-4-amine (PubChem CID 12603288) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N,3-dimethylimidazol-4-amine.

Molecular Properties

Compound NameN,3-dimethylimidazol-4-amine
PubChem CID12603288
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN,3-dimethylimidazol-4-amine
SMILESCNc1cncn1C
InChIInChI=1S/C5H9N3/c1-6-5-3-7-4-8(5)2/h3-4,6H,1-2H3
InChIKeyJQZPHNUZEVAIJA-UHFFFAOYSA-N
XLogP0.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylimidazol-4-amine?
The IUPAC name of N,3-dimethylimidazol-4-amine (CID 12603288) is N,3-dimethylimidazol-4-amine.
What is the SMILES notation for N,3-dimethylimidazol-4-amine?
The canonical SMILES for N,3-dimethylimidazol-4-amine is CNc1cncn1C.
What is the InChIKey of N,3-dimethylimidazol-4-amine?
The InChIKey is JQZPHNUZEVAIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-5-3-7-4-8(5)2/h3-4,6H,1-2H3.
What are the key properties of N,3-dimethylimidazol-4-amine?
N,3-dimethylimidazol-4-amine has a molecular weight of 111.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylimidazol-4-amine is sourced from PubChem (CID 12603288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).