(2Z)-N'-methylhexa-2,4-dienimidamide

C7H12N2 — CID 89017380

IUPAC(2Z)-N'-methylhexa-2,4-dienimidamide
SMILESCC=C/C=C\C(N)=N\C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3,(H2,8,9)/b4-3?,6-5-
InChIKeyQSGUEJDDCXDLSP-FHMHXFBPSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds2

About (2Z)-N'-methylhexa-2,4-dienimidamide

(2Z)-N'-methylhexa-2,4-dienimidamide (PubChem CID 89017380) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z)-N'-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methylhexa-2,4-dienimidamide
PubChem CID89017380
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z)-N'-methylhexa-2,4-dienimidamide
SMILESCC=C/C=C\C(N)=N\C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3,(H2,8,9)/b4-3?,6-5-
InChIKeyQSGUEJDDCXDLSP-FHMHXFBPSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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-dienimidamide?
The IUPAC name of (2Z)-N'-methylhexa-2,4-dienimidamide (CID 89017380) is (2Z)-N'-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-methylhexa-2,4-dienimidamide is CC=C/C=C\C(N)=N\C.
What is the InChIKey of (2Z)-N'-methylhexa-2,4-dienimidamide?
The InChIKey is QSGUEJDDCXDLSP-FHMHXFBPSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3,(H2,8,9)/b4-3?,6-5-.
What are the key properties of (2Z)-N'-methylhexa-2,4-dienimidamide?
(2Z)-N'-methylhexa-2,4-dienimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.11, 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-dienimidamide is sourced from PubChem (CID 89017380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).