N'-[(1-methylimidazol-2-yl)methyl]propanimidamide

C8H14N4 — CID 63293400

IUPACN'-[(1-methylimidazol-2-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nccn1C
InChIInChI=1S/C8H14N4/c1-3-7(9)11-6-8-10-4-5-12(8)2/h4-5H,3,6H2,1-2H3,(H2,9,11)
InChIKeyMULQMABSLOZBNZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.69
Rot. Bonds3

About N'-[(1-methylimidazol-2-yl)methyl]propanimidamide

N'-[(1-methylimidazol-2-yl)methyl]propanimidamide (PubChem CID 63293400) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-[(1-methylimidazol-2-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(1-methylimidazol-2-yl)methyl]propanimidamide
PubChem CID63293400
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-[(1-methylimidazol-2-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nccn1C
InChIInChI=1S/C8H14N4/c1-3-7(9)11-6-8-10-4-5-12(8)2/h4-5H,3,6H2,1-2H3,(H2,9,11)
InChIKeyMULQMABSLOZBNZ-UHFFFAOYSA-N
XLogP0.69
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 63177133
N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
CID 63177420
1-(3,5-dimethylphenyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119121548
(1-methylimidazol-2-yl)methyl propanoate
CID 166101479
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-amino-3-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine
CID 116515322
2-[(1-methylimidazol-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 119121582
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
(1-methylimidazol-2-yl)methyl N'-aminocarbamimidothioate
CID 77060660
azane;1-methyl-2-propylimidazole
CID 174525892
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119163660
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylimidazol-2-yl)methyl]propanimidamide?
The IUPAC name of N'-[(1-methylimidazol-2-yl)methyl]propanimidamide (CID 63293400) is N'-[(1-methylimidazol-2-yl)methyl]propanimidamide.
What is the SMILES notation for N'-[(1-methylimidazol-2-yl)methyl]propanimidamide?
The canonical SMILES for N'-[(1-methylimidazol-2-yl)methyl]propanimidamide is CC/C(N)=N\Cc1nccn1C.
What is the InChIKey of N'-[(1-methylimidazol-2-yl)methyl]propanimidamide?
The InChIKey is MULQMABSLOZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-7(9)11-6-8-10-4-5-12(8)2/h4-5H,3,6H2,1-2H3,(H2,9,11).
What are the key properties of N'-[(1-methylimidazol-2-yl)methyl]propanimidamide?
N'-[(1-methylimidazol-2-yl)methyl]propanimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylimidazol-2-yl)methyl]propanimidamide is sourced from PubChem (CID 63293400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).