N-ethylidene-N'-(methyliminomethyl)methanimidamide

C5H9N3 — CID 129313587

IUPACN-ethylidene-N'-(methyliminomethyl)methanimidamide
SMILESC/C=N/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyWIXAAYDGZYIJIO-NLZHIDBLSA-N
MW111.15 g/mol
LogP0.76
Rot. Bonds2

About N-ethylidene-N'-(methyliminomethyl)methanimidamide

N-ethylidene-N'-(methyliminomethyl)methanimidamide (PubChem CID 129313587) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-ethylidene-N'-(methyliminomethyl)methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-(methyliminomethyl)methanimidamide
PubChem CID129313587
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-ethylidene-N'-(methyliminomethyl)methanimidamide
SMILESC/C=N/C=N/C=N/C
InChIInChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyWIXAAYDGZYIJIO-NLZHIDBLSA-N
XLogP0.76
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethylidene-N'-(methyliminomethyl)methanimidamide?
The IUPAC name of N-ethylidene-N'-(methyliminomethyl)methanimidamide (CID 129313587) is N-ethylidene-N'-(methyliminomethyl)methanimidamide.
What is the SMILES notation for N-ethylidene-N'-(methyliminomethyl)methanimidamide?
The canonical SMILES for N-ethylidene-N'-(methyliminomethyl)methanimidamide is C/C=N/C=N/C=N/C.
What is the InChIKey of N-ethylidene-N'-(methyliminomethyl)methanimidamide?
The InChIKey is WIXAAYDGZYIJIO-NLZHIDBLSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-7-5-8-4-6-2/h3-5H,1-2H3/b6-4+,7-3+,8-5+.
What are the key properties of N-ethylidene-N'-(methyliminomethyl)methanimidamide?
N-ethylidene-N'-(methyliminomethyl)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-(methyliminomethyl)methanimidamide is sourced from PubChem (CID 129313587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).