N'-(4-methylidenehexa-1,2-dienyl)methanimidamide

C8H12N2 — CID 89319907

IUPACN'-(4-methylidenehexa-1,2-dienyl)methanimidamide
SMILESC=C(C=C=C/N=C/N)CC
InChIInChI=1S/C8H12N2/c1-3-8(2)5-4-6-10-7-9/h5-7H,2-3H2,1H3,(H2,9,10)
InChIKeyCOUAWMQDHOAJPG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds3

About N'-(4-methylidenehexa-1,2-dienyl)methanimidamide

N'-(4-methylidenehexa-1,2-dienyl)methanimidamide (PubChem CID 89319907) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-(4-methylidenehexa-1,2-dienyl)methanimidamide.

Molecular Properties

Compound NameN'-(4-methylidenehexa-1,2-dienyl)methanimidamide
PubChem CID89319907
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-(4-methylidenehexa-1,2-dienyl)methanimidamide
SMILESC=C(C=C=C/N=C/N)CC
InChIInChI=1S/C8H12N2/c1-3-8(2)5-4-6-10-7-9/h5-7H,2-3H2,1H3,(H2,9,10)
InChIKeyCOUAWMQDHOAJPG-UHFFFAOYSA-N
XLogP1.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.61
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 N'-(4-methylidenehexa-1,2-dienyl)methanimidamide?
The IUPAC name of N'-(4-methylidenehexa-1,2-dienyl)methanimidamide (CID 89319907) is N'-(4-methylidenehexa-1,2-dienyl)methanimidamide.
What is the SMILES notation for N'-(4-methylidenehexa-1,2-dienyl)methanimidamide?
The canonical SMILES for N'-(4-methylidenehexa-1,2-dienyl)methanimidamide is C=C(C=C=C/N=C/N)CC.
What is the InChIKey of N'-(4-methylidenehexa-1,2-dienyl)methanimidamide?
The InChIKey is COUAWMQDHOAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(2)5-4-6-10-7-9/h5-7H,2-3H2,1H3,(H2,9,10).
What are the key properties of N'-(4-methylidenehexa-1,2-dienyl)methanimidamide?
N'-(4-methylidenehexa-1,2-dienyl)methanimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylidenehexa-1,2-dienyl)methanimidamide is sourced from PubChem (CID 89319907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).