(2Z)-N'-methylhexa-2,4,5-trienimidamide

C7H10N2 — CID 123347342

IUPAC(2Z)-N'-methylhexa-2,4,5-trienimidamide
SMILESC=C=C/C=C\C(N)=N\C
InChIInChI=1S/C7H10N2/c1-3-4-5-6-7(8)9-2/h4-6H,1H2,2H3,(H2,8,9)/b6-5-
InChIKeyLBLLRIMYRCISOD-WAYWQWQTSA-N
MW122.17 g/mol
LogP0.87
Rot. Bonds2

About (2Z)-N'-methylhexa-2,4,5-trienimidamide

(2Z)-N'-methylhexa-2,4,5-trienimidamide (PubChem CID 123347342) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (2Z)-N'-methylhexa-2,4,5-trienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methylhexa-2,4,5-trienimidamide
PubChem CID123347342
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(2Z)-N'-methylhexa-2,4,5-trienimidamide
SMILESC=C=C/C=C\C(N)=N\C
InChIInChI=1S/C7H10N2/c1-3-4-5-6-7(8)9-2/h4-6H,1H2,2H3,(H2,8,9)/b6-5-
InChIKeyLBLLRIMYRCISOD-WAYWQWQTSA-N
XLogP0.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
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 (2Z)-N'-methylhexa-2,4,5-trienimidamide?
The IUPAC name of (2Z)-N'-methylhexa-2,4,5-trienimidamide (CID 123347342) is (2Z)-N'-methylhexa-2,4,5-trienimidamide.
What is the SMILES notation for (2Z)-N'-methylhexa-2,4,5-trienimidamide?
The canonical SMILES for (2Z)-N'-methylhexa-2,4,5-trienimidamide is C=C=C/C=C\C(N)=N\C.
What is the InChIKey of (2Z)-N'-methylhexa-2,4,5-trienimidamide?
The InChIKey is LBLLRIMYRCISOD-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-5-6-7(8)9-2/h4-6H,1H2,2H3,(H2,8,9)/b6-5-.
What are the key properties of (2Z)-N'-methylhexa-2,4,5-trienimidamide?
(2Z)-N'-methylhexa-2,4,5-trienimidamide has a molecular weight of 122.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-methylhexa-2,4,5-trienimidamide is sourced from PubChem (CID 123347342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).