N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide

C8H13N3 — CID 123140467

IUPACN'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
SMILES[H]/N=C/N=C(\N)C(C)=CC(=C)C
InChIInChI=1S/C8H13N3/c1-6(2)4-7(3)8(10)11-5-9/h4-5H,1H2,2-3H3,(H3,9,10,11)
InChIKeyNAKNXEDAWJRTQN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.47
Rot. Bonds3

About N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide

N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide (PubChem CID 123140467) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
PubChem CID123140467
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
SMILES[H]/N=C/N=C(\N)C(C)=CC(=C)C
InChIInChI=1S/C8H13N3/c1-6(2)4-7(3)8(10)11-5-9/h4-5H,1H2,2-3H3,(H3,9,10,11)
InChIKeyNAKNXEDAWJRTQN-UHFFFAOYSA-N
XLogP1.47
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
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'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide?
The IUPAC name of N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide (CID 123140467) is N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide.
What is the SMILES notation for N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide?
The canonical SMILES for N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide is [H]/N=C/N=C(\N)C(C)=CC(=C)C.
What is the InChIKey of N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide?
The InChIKey is NAKNXEDAWJRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)4-7(3)8(10)11-5-9/h4-5H,1H2,2-3H3,(H3,9,10,11).
What are the key properties of N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide?
N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 123140467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).