N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide

C6H10N2 — CID 89390396

IUPACN'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C(C)/C=C\N=C\N
InChIInChI=1S/C6H10N2/c1-6(2)3-4-8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b4-3-
InChIKeyFALMVEFXFAPYSR-ARJAWSKDSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide

N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide (PubChem CID 89390396) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
PubChem CID89390396
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C(C)/C=C\N=C\N
InChIInChI=1S/C6H10N2/c1-6(2)3-4-8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b4-3-
InChIKeyFALMVEFXFAPYSR-ARJAWSKDSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
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'}

Analyze N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide (CID 89390396) is N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide is C=C(C)/C=C\N=C\N.
What is the InChIKey of N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The InChIKey is FALMVEFXFAPYSR-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)3-4-8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b4-3-.
What are the key properties of N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 89390396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).