N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide

C14H22N2 — CID 130179060

IUPACN-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
SMILESC=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-9-12(5)10-14(11(3)4)16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b12-9+,14-10-
InChIKeyHIBLLDGZNFPURD-FNIWZSMSSA-N
MW218.34 g/mol
LogP3.81
Rot. Bonds5

About N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide

N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide (PubChem CID 130179060) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
PubChem CID130179060
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
SMILESC=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-9-12(5)10-14(11(3)4)16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b12-9+,14-10-
InChIKeyHIBLLDGZNFPURD-FNIWZSMSSA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.81
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-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide?
The IUPAC name of N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide (CID 130179060) is N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide.
What is the SMILES notation for N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide?
The canonical SMILES for N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide is C=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)C.
What is the InChIKey of N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide?
The InChIKey is HIBLLDGZNFPURD-FNIWZSMSSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-9-12(5)10-14(11(3)4)16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b12-9+,14-10-.
What are the key properties of N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide?
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide is sourced from PubChem (CID 130179060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).