N'-[ethenyl(methyl)amino]methanimidamide

C4H9N3 — CID 91450172

IUPACN'-[ethenyl(methyl)amino]methanimidamide
SMILESC=CN(C)N=CN
InChIInChI=1S/C4H9N3/c1-3-7(2)6-4-5/h3-4H,1H2,2H3,(H2,5,6)
InChIKeyIREJNGCJJQWZMA-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.04
Rot. Bonds2

About N'-[ethenyl(methyl)amino]methanimidamide

N'-[ethenyl(methyl)amino]methanimidamide (PubChem CID 91450172) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N'-[ethenyl(methyl)amino]methanimidamide.

Molecular Properties

Compound NameN'-[ethenyl(methyl)amino]methanimidamide
PubChem CID91450172
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN'-[ethenyl(methyl)amino]methanimidamide
SMILESC=CN(C)N=CN
InChIInChI=1S/C4H9N3/c1-3-7(2)6-4-5/h3-4H,1H2,2H3,(H2,5,6)
InChIKeyIREJNGCJJQWZMA-UHFFFAOYSA-N
XLogP-0.04
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.04
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[ethenyl(methyl)amino]methanimidamide?
The IUPAC name of N'-[ethenyl(methyl)amino]methanimidamide (CID 91450172) is N'-[ethenyl(methyl)amino]methanimidamide.
What is the SMILES notation for N'-[ethenyl(methyl)amino]methanimidamide?
The canonical SMILES for N'-[ethenyl(methyl)amino]methanimidamide is C=CN(C)N=CN.
What is the InChIKey of N'-[ethenyl(methyl)amino]methanimidamide?
The InChIKey is IREJNGCJJQWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-7(2)6-4-5/h3-4H,1H2,2H3,(H2,5,6).
What are the key properties of N'-[ethenyl(methyl)amino]methanimidamide?
N'-[ethenyl(methyl)amino]methanimidamide has a molecular weight of 99.14 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethenyl(methyl)amino]methanimidamide is sourced from PubChem (CID 91450172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).