N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide

C8H15N3 — CID 88917238

IUPACN'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)N(C)C
InChIInChI=1S/C8H15N3/c1-5-8(11(3)4)6-10-7(2)9/h5-6H,1H2,2-4H3,(H2,9,10)/b8-6+
InChIKeyFOJQYJXFGUVGIE-SOFGYWHQSA-N
MW153.23 g/mol
LogP0.95
Rot. Bonds3

About N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide

N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide (PubChem CID 88917238) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide
PubChem CID88917238
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)N(C)C
InChIInChI=1S/C8H15N3/c1-5-8(11(3)4)6-10-7(2)9/h5-6H,1H2,2-4H3,(H2,9,10)/b8-6+
InChIKeyFOJQYJXFGUVGIE-SOFGYWHQSA-N
XLogP0.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide (CID 88917238) is N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(/C)N)N(C)C.
What is the InChIKey of N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide?
The InChIKey is FOJQYJXFGUVGIE-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-8(11(3)4)6-10-7(2)9/h5-6H,1H2,2-4H3,(H2,9,10)/b8-6+.
What are the key properties of N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide?
N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 88917238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).