N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide

C7H12N2 — CID 123737972

IUPACN'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide
SMILESCC=C/C=C/N/C=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-7H,1-2H3,(H,8,9)/b4-3?,6-5+
InChIKeyPAOHWPOHZMWJBO-DSSYRYGXSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide

N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide (PubChem CID 123737972) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide
PubChem CID123737972
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide
SMILESCC=C/C=C/N/C=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-7H,1-2H3,(H,8,9)/b4-3?,6-5+
InChIKeyPAOHWPOHZMWJBO-DSSYRYGXSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
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'-methyl-N-[(1E)-penta-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

Related Compounds

1H-1,3-Diazepine
CID 12312962
N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
CID 142309219
1H-1,3-diazepine;hydrobromide
CID 20542620
1H-1,3-diazepine;hydrochloride
CID 21567637
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide
CID 57687396
1H-1,3-diazepin-7-amine
CID 67193485
N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide
CID 76593341
1-prop-1-enyl-1H-imidazol-1-ium chloride
CID 86617951
1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)
CID 87610662
1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
CID 89205394
N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
CID 89224939

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide (CID 123737972) is N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide is CC=C/C=C/N/C=N/C.
What is the InChIKey of N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide?
The InChIKey is PAOHWPOHZMWJBO-DSSYRYGXSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-7H,1-2H3,(H,8,9)/b4-3?,6-5+.
What are the key properties of N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide?
N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 123737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).