N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide

C7H12N2 — CID 90250577

IUPACN'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
SMILESC=C/C=C\CN/C=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-5,7H,1,6H2,2H3,(H,8,9)/b5-4-
InChIKeyVNTHDNQNFVTNQJ-PLNGDYQASA-N
MW124.19 g/mol
LogP0.98
Rot. Bonds4

About N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide

N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide (PubChem CID 90250577) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
PubChem CID90250577
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
SMILESC=C/C=C\CN/C=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-5,7H,1,6H2,2H3,(H,8,9)/b5-4-
InChIKeyVNTHDNQNFVTNQJ-PLNGDYQASA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide (CID 90250577) is N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide is C=C/C=C\CN/C=N/C.
What is the InChIKey of N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide?
The InChIKey is VNTHDNQNFVTNQJ-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h3-5,7H,1,6H2,2H3,(H,8,9)/b5-4-.
What are the key properties of N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide?
N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide is sourced from PubChem (CID 90250577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).