N-methyl-N'-methylideneprop-2-ene-1,3-diimine

C5H8N2 — CID 91606293

IUPACN-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=NC=C/C=N/C
InChIInChI=1S/C5H8N2/c1-6-4-3-5-7-2/h3-5H,1H2,2H3/b4-3?,7-5+
InChIKeyPMLRNSAHKGXDTK-LDPJEHJDSA-N
MW96.13 g/mol
LogP0.90
Rot. Bonds2

About N-methyl-N'-methylideneprop-2-ene-1,3-diimine

N-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 91606293) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound NameN-methyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID91606293
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=NC=C/C=N/C
InChIInChI=1S/C5H8N2/c1-6-4-3-5-7-2/h3-5H,1H2,2H3/b4-3?,7-5+
InChIKeyPMLRNSAHKGXDTK-LDPJEHJDSA-N
XLogP0.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of N-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 91606293) is N-methyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for N-methyl-N'-methylideneprop-2-ene-1,3-diimine is C=NC=C/C=N/C.
What is the InChIKey of N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is PMLRNSAHKGXDTK-LDPJEHJDSA-N. The full InChI is InChI=1S/C5H8N2/c1-6-4-3-5-7-2/h3-5H,1H2,2H3/b4-3?,7-5+.
What are the key properties of N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
N-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 96.13 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 91606293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).