(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide

C13H18N2 — CID 134524702

IUPAC(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(C=C)\C(=N\C)N(C)C=C
InChIInChI=1S/C13H18N2/c1-6-9-10-11-12(7-2)13(14-4)15(5)8-3/h6-11H,1-3H2,4-5H3/b10-9-,12-11+,14-13-
InChIKeyZXOCQZVCRSKCBB-JSYXNPLHSA-N
MW202.30 g/mol
LogP2.94
Rot. Bonds5

About (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide

(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide (PubChem CID 134524702) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
PubChem CID134524702
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(C=C)\C(=N\C)N(C)C=C
InChIInChI=1S/C13H18N2/c1-6-9-10-11-12(7-2)13(14-4)15(5)8-3/h6-11H,1-3H2,4-5H3/b10-9-,12-11+,14-13-
InChIKeyZXOCQZVCRSKCBB-JSYXNPLHSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide?
The IUPAC name of (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide (CID 134524702) is (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide is C=C/C=C\C=C(C=C)\C(=N\C)N(C)C=C.
What is the InChIKey of (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide?
The InChIKey is ZXOCQZVCRSKCBB-JSYXNPLHSA-N. The full InChI is InChI=1S/C13H18N2/c1-6-9-10-11-12(7-2)13(14-4)15(5)8-3/h6-11H,1-3H2,4-5H3/b10-9-,12-11+,14-13-.
What are the key properties of (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide?
(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide has a molecular weight of 202.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 134524702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).