hexa-3,5-dienimidamide

C6H10N2 — CID 88773677

IUPAChexa-3,5-dienimidamide
SMILES[H]/N=C(/N)CC=CC=C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H3,7,8)
InChIKeyYAGSPJAOPDOHJZ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.05
Rot. Bonds3

About hexa-3,5-dienimidamide

hexa-3,5-dienimidamide (PubChem CID 88773677) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is hexa-3,5-dienimidamide.

Molecular Properties

Compound Namehexa-3,5-dienimidamide
PubChem CID88773677
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namehexa-3,5-dienimidamide
SMILES[H]/N=C(/N)CC=CC=C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H3,7,8)
InChIKeyYAGSPJAOPDOHJZ-UHFFFAOYSA-N
XLogP1.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexa-3,5-dienimidamide?
The IUPAC name of hexa-3,5-dienimidamide (CID 88773677) is hexa-3,5-dienimidamide.
What is the SMILES notation for hexa-3,5-dienimidamide?
The canonical SMILES for hexa-3,5-dienimidamide is [H]/N=C(/N)CC=CC=C.
What is the InChIKey of hexa-3,5-dienimidamide?
The InChIKey is YAGSPJAOPDOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H3,7,8).
What are the key properties of hexa-3,5-dienimidamide?
hexa-3,5-dienimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-3,5-dienimidamide is sourced from PubChem (CID 88773677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).