bis(ethanediimidamide);toluene

C11H20N8 — CID 70390031

IUPACbis(ethanediimidamide);toluene
SMILESCc1ccccc1.[H]/N=C(N)/C(N)=N/[H].[H]/N=C(N)/C(N)=N/[H]
InChIInChI=1S/C7H8.2C2H6N4/c1-7-5-3-2-4-6-7;2*3-1(4)2(5)6/h2-6H,1H3;2*(H3,3,4)(H3,5,6)
InChIKeyIJEBIDQDUWCXML-UHFFFAOYSA-N
MW264.34 g/mol
LogP-0.29
Rot. Bonds

About bis(ethanediimidamide);toluene

bis(ethanediimidamide);toluene (PubChem CID 70390031) has the molecular formula C11H20N8 and a molecular weight of 264.34 g/mol. Its IUPAC name is bis(ethanediimidamide);toluene.

Molecular Properties

Compound Namebis(ethanediimidamide);toluene
PubChem CID70390031
Molecular FormulaC11H20N8
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC Namebis(ethanediimidamide);toluene
SMILESCc1ccccc1.[H]/N=C(N)/C(N)=N/[H].[H]/N=C(N)/C(N)=N/[H]
InChIInChI=1S/C7H8.2C2H6N4/c1-7-5-3-2-4-6-7;2*3-1(4)2(5)6/h2-6H,1H3;2*(H3,3,4)(H3,5,6)
InChIKeyIJEBIDQDUWCXML-UHFFFAOYSA-N
XLogP-0.29
TPSA199.48 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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 bis(ethanediimidamide);toluene?
The IUPAC name of bis(ethanediimidamide);toluene (CID 70390031) is bis(ethanediimidamide);toluene.
What is the SMILES notation for bis(ethanediimidamide);toluene?
The canonical SMILES for bis(ethanediimidamide);toluene is Cc1ccccc1.[H]/N=C(N)/C(N)=N/[H].[H]/N=C(N)/C(N)=N/[H].
What is the InChIKey of bis(ethanediimidamide);toluene?
The InChIKey is IJEBIDQDUWCXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C2H6N4/c1-7-5-3-2-4-6-7;2*3-1(4)2(5)6/h2-6H,1H3;2*(H3,3,4)(H3,5,6).
What are the key properties of bis(ethanediimidamide);toluene?
bis(ethanediimidamide);toluene has a molecular weight of 264.34 g/mol, XLogP of -0.29, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethanediimidamide);toluene is sourced from PubChem (CID 70390031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).