N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide

C8H14N2 — CID 89224939

IUPACN-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
SMILESCC/C=C/C=C/N/C=N/C
InChIInChI=1S/C8H14N2/c1-3-4-5-6-7-10-8-9-2/h4-8H,3H2,1-2H3,(H,9,10)/b5-4+,7-6+
InChIKeyIEJSYVBXZAGPBD-YTXTXJHMSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds4

About N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide

N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide (PubChem CID 89224939) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
PubChem CID89224939
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
SMILESCC/C=C/C=C/N/C=N/C
InChIInChI=1S/C8H14N2/c1-3-4-5-6-7-10-8-9-2/h4-8H,3H2,1-2H3,(H,9,10)/b5-4+,7-6+
InChIKeyIEJSYVBXZAGPBD-YTXTXJHMSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide (CID 89224939) is N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide is CC/C=C/C=C/N/C=N/C.
What is the InChIKey of N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide?
The InChIKey is IEJSYVBXZAGPBD-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-6-7-10-8-9-2/h4-8H,3H2,1-2H3,(H,9,10)/b5-4+,7-6+.
What are the key properties of N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide?
N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide is sourced from PubChem (CID 89224939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).