N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide

C7H12N2 — CID 91474539

IUPACN'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(=C\N=C\N)CC
InChIInChI=1S/C7H12N2/c1-3-7(4-2)5-9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+
InChIKeyVBUOXCGDSNMHRB-FNORWQNLSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds3

About N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide

N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide (PubChem CID 91474539) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
PubChem CID91474539
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(=C\N=C\N)CC
InChIInChI=1S/C7H12N2/c1-3-7(4-2)5-9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+
InChIKeyVBUOXCGDSNMHRB-FNORWQNLSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide (CID 91474539) is N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide is C=C/C(=C\N=C\N)CC.
What is the InChIKey of N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide?
The InChIKey is VBUOXCGDSNMHRB-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(4-2)5-9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+.
What are the key properties of N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide?
N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 91474539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).