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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Related Compounds

(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 139435453
(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(4Z)-4-[(Z)-1-fluoro-3-methylpent-2-enylidene]-3-methylidene-2H-pyrrol-5-amine
CID 144144527
(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
CID 170178765
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
CID 21447262
2,6-dimethyl-2H-azepin-7-amine
CID 57119104
N'-methylcyclopenta-1,3-diene-1-carboximidamide
CID 58746429
(3Z)-3-ethylidenepyridin-2-imine
CID 89254996
(3Z)-3-[(Z)-pent-3-en-2-ylidene]pyridin-2-imine
CID 117616998
(2E,3Z)-2-ethylidenehexa-3,5-dienimidamide
CID 117660284
N-[(2E,4Z)-1-amino-2-methylhepta-2,4,6-trienylidene]cyclopenta-1,2,4-triene-1-carboximidamide
CID 118641902

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).