(2E,4E)-hexa-2,4-dienimidamide

C6H10N2 — CID 123787414

IUPAC(2E,4E)-hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C/C=C/C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H3,7,8)/b3-2+,5-4+
InChIKeyAVLURCBSFCKTGJ-MQQKCMAXSA-N
MW110.16 g/mol
LogP1.05
Rot. Bonds2

About (2E,4E)-hexa-2,4-dienimidamide

(2E,4E)-hexa-2,4-dienimidamide (PubChem CID 123787414) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienimidamide
PubChem CID123787414
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(2E,4E)-hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C/C=C/C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H3,7,8)/b3-2+,5-4+
InChIKeyAVLURCBSFCKTGJ-MQQKCMAXSA-N
XLogP1.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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 (2E,4E)-hexa-2,4-dienimidamide?
The IUPAC name of (2E,4E)-hexa-2,4-dienimidamide (CID 123787414) is (2E,4E)-hexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-hexa-2,4-dienimidamide is [H]/N=C(N)/C=C/C=C/C.
What is the InChIKey of (2E,4E)-hexa-2,4-dienimidamide?
The InChIKey is AVLURCBSFCKTGJ-MQQKCMAXSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H3,7,8)/b3-2+,5-4+.
What are the key properties of (2E,4E)-hexa-2,4-dienimidamide?
(2E,4E)-hexa-2,4-dienimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienimidamide is sourced from PubChem (CID 123787414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).