N-ethenyl-N'-(methylaminomethyl)methanimidamide

C5H11N3 — CID 123502619

IUPACN-ethenyl-N'-(methylaminomethyl)methanimidamide
SMILESC=CNC=NCNC
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,1,4H2,2H3,(H,7,8)
InChIKeyGZKNCMGUFPCYMN-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.08
Rot. Bonds4

About N-ethenyl-N'-(methylaminomethyl)methanimidamide

N-ethenyl-N'-(methylaminomethyl)methanimidamide (PubChem CID 123502619) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethenyl-N'-(methylaminomethyl)methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(methylaminomethyl)methanimidamide
PubChem CID123502619
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-ethenyl-N'-(methylaminomethyl)methanimidamide
SMILESC=CNC=NCNC
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,1,4H2,2H3,(H,7,8)
InChIKeyGZKNCMGUFPCYMN-UHFFFAOYSA-N
XLogP-0.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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-ethenyl-N'-(methylaminomethyl)methanimidamide?
The IUPAC name of N-ethenyl-N'-(methylaminomethyl)methanimidamide (CID 123502619) is N-ethenyl-N'-(methylaminomethyl)methanimidamide.
What is the SMILES notation for N-ethenyl-N'-(methylaminomethyl)methanimidamide?
The canonical SMILES for N-ethenyl-N'-(methylaminomethyl)methanimidamide is C=CNC=NCNC.
What is the InChIKey of N-ethenyl-N'-(methylaminomethyl)methanimidamide?
The InChIKey is GZKNCMGUFPCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,1,4H2,2H3,(H,7,8).
What are the key properties of N-ethenyl-N'-(methylaminomethyl)methanimidamide?
N-ethenyl-N'-(methylaminomethyl)methanimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(methylaminomethyl)methanimidamide is sourced from PubChem (CID 123502619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).