N'-methyl-N-(methyliminomethyl)ethanimidamide

C5H11N3 — CID 123298875

IUPACN'-methyl-N-(methyliminomethyl)ethanimidamide
SMILESC/N=C/N/C(C)=N/C
InChIInChI=1S/C5H11N3/c1-5(7-3)8-4-6-2/h4H,1-3H3,(H,6,7,8)
InChIKeyILMMSOKRKGARTL-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.28
Rot. Bonds1

About N'-methyl-N-(methyliminomethyl)ethanimidamide

N'-methyl-N-(methyliminomethyl)ethanimidamide (PubChem CID 123298875) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-methyl-N-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(methyliminomethyl)ethanimidamide
PubChem CID123298875
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-methyl-N-(methyliminomethyl)ethanimidamide
SMILESC/N=C/N/C(C)=N/C
InChIInChI=1S/C5H11N3/c1-5(7-3)8-4-6-2/h4H,1-3H3,(H,6,7,8)
InChIKeyILMMSOKRKGARTL-UHFFFAOYSA-N
XLogP0.28
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.28
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'-methyl-N-(methyliminomethyl)ethanimidamide?
The IUPAC name of N'-methyl-N-(methyliminomethyl)ethanimidamide (CID 123298875) is N'-methyl-N-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(methyliminomethyl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(methyliminomethyl)ethanimidamide is C/N=C/N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-(methyliminomethyl)ethanimidamide?
The InChIKey is ILMMSOKRKGARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(7-3)8-4-6-2/h4H,1-3H3,(H,6,7,8).
What are the key properties of N'-methyl-N-(methyliminomethyl)ethanimidamide?
N'-methyl-N-(methyliminomethyl)ethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 123298875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).