N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine

C12H16N2 — CID 130418980

IUPACN'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine
SMILESC=C/C(=C\C)N=C=NC(/C=C\C)=C/C
InChIInChI=1S/C12H16N2/c1-5-9-12(8-4)14-10-13-11(6-2)7-3/h5-9H,2H2,1,3-4H3/b9-5-,11-7+,12-8+
InChIKeyWQJFJAVLASZXKR-NNOJKZMQSA-N
MW188.27 g/mol
LogP3.73
Rot. Bonds4

About N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine

N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine (PubChem CID 130418980) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine.

Molecular Properties

Compound NameN'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine
PubChem CID130418980
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine
SMILESC=C/C(=C\C)N=C=NC(/C=C\C)=C/C
InChIInChI=1S/C12H16N2/c1-5-9-12(8-4)14-10-13-11(6-2)7-3/h5-9H,2H2,1,3-4H3/b9-5-,11-7+,12-8+
InChIKeyWQJFJAVLASZXKR-NNOJKZMQSA-N
XLogP3.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine?
The IUPAC name of N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine (CID 130418980) is N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine.
What is the SMILES notation for N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine?
The canonical SMILES for N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine is C=C/C(=C\C)N=C=NC(/C=C\C)=C/C.
What is the InChIKey of N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine?
The InChIKey is WQJFJAVLASZXKR-NNOJKZMQSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9-12(8-4)14-10-13-11(6-2)7-3/h5-9H,2H2,1,3-4H3/b9-5-,11-7+,12-8+.
What are the key properties of N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine?
N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine has a molecular weight of 188.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine is sourced from PubChem (CID 130418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).