(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide

C13H22N2 — CID 89383546

IUPAC(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
SMILESC/C=C(C(\N)=N\C=C\C)/C(C)C/C=C/C
InChIInChI=1S/C13H22N2/c1-5-8-9-11(4)12(7-3)13(14)15-10-6-2/h5-8,10-11H,9H2,1-4H3,(H2,14,15)/b8-5+,10-6+,12-7-
InChIKeyRVABMOGMBLHOSJ-SUTBHCIPSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds5

About (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide

(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide (PubChem CID 89383546) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide.

Molecular Properties

Compound Name(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
PubChem CID89383546
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
SMILESC/C=C(C(\N)=N\C=C\C)/C(C)C/C=C/C
InChIInChI=1S/C13H22N2/c1-5-8-9-11(4)12(7-3)13(14)15-10-6-2/h5-8,10-11H,9H2,1-4H3,(H2,14,15)/b8-5+,10-6+,12-7-
InChIKeyRVABMOGMBLHOSJ-SUTBHCIPSA-N
XLogP3.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide?
The IUPAC name of (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide (CID 89383546) is (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide.
What is the SMILES notation for (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide?
The canonical SMILES for (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide is C/C=C(C(\N)=N\C=C\C)/C(C)C/C=C/C.
What is the InChIKey of (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide?
The InChIKey is RVABMOGMBLHOSJ-SUTBHCIPSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-8-9-11(4)12(7-3)13(14)15-10-6-2/h5-8,10-11H,9H2,1-4H3,(H2,14,15)/b8-5+,10-6+,12-7-.
What are the key properties of (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide?
(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide is sourced from PubChem (CID 89383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).