N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide

C6H10N4 — CID 54387791

IUPACN'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncc[nH]1
InChIInChI=1S/C6H10N4/c1-10(2)5-9-6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyVEMHGBRKKQAHQD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds2

About N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide

N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 54387791) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
PubChem CID54387791
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC NameN'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncc[nH]1
InChIInChI=1S/C6H10N4/c1-10(2)5-9-6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyVEMHGBRKKQAHQD-UHFFFAOYSA-N
XLogP0.63
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide (CID 54387791) is N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is VEMHGBRKKQAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-10(2)5-9-6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide?
N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 138.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 54387791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).