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

C14H16N2 — CID 134524701

IUPAC(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide
SMILESC#C/N=C(C(/C=C)=C/C=C\C=C)\N(C)C=C
InChIInChI=1S/C14H16N2/c1-6-10-11-12-13(7-2)14(15-8-3)16(5)9-4/h3,6-7,9-12H,1-2,4H2,5H3/b11-10-,13-12+,15-14-
InChIKeyDVQLMUUSBAPWQG-QMAYGUQNSA-N
MW212.30 g/mol
LogP2.91
Rot. Bonds5

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

(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide (PubChem CID 134524701) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide
PubChem CID134524701
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide
SMILESC#C/N=C(C(/C=C)=C/C=C\C=C)\N(C)C=C
InChIInChI=1S/C14H16N2/c1-6-10-11-12-13(7-2)14(15-8-3)16(5)9-4/h3,6-7,9-12H,1-2,4H2,5H3/b11-10-,13-12+,15-14-
InChIKeyDVQLMUUSBAPWQG-QMAYGUQNSA-N
XLogP2.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.91
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide?
The IUPAC name of (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide (CID 134524701) is (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide is C#C/N=C(C(/C=C)=C/C=C\C=C)\N(C)C=C.
What is the InChIKey of (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide?
The InChIKey is DVQLMUUSBAPWQG-QMAYGUQNSA-N. The full InChI is InChI=1S/C14H16N2/c1-6-10-11-12-13(7-2)14(15-8-3)16(5)9-4/h3,6-7,9-12H,1-2,4H2,5H3/b11-10-,13-12+,15-14-.
What are the key properties of (2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide?
(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide has a molecular weight of 212.30 g/mol, XLogP of 2.91, 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'-ethynyl-N-methylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 134524701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).