2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine

C12H18N2 — CID 130178011

IUPAC2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine
SMILESC/C=C\C(/C=C\C)=C(/C=N/C)/C=N/C
InChIInChI=1S/C12H18N2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H,1-4H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyFOGWHBSBCDRXPD-HRFZYNDSSA-N
MW190.29 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine

2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine (PubChem CID 130178011) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine.

Molecular Properties

Compound Name2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine
PubChem CID130178011
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine
SMILESC/C=C\C(/C=C\C)=C(/C=N/C)/C=N/C
InChIInChI=1S/C12H18N2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H,1-4H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyFOGWHBSBCDRXPD-HRFZYNDSSA-N
XLogP2.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.84
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 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The IUPAC name of 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine (CID 130178011) is 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine.
What is the SMILES notation for 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The canonical SMILES for 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine is C/C=C\C(/C=C\C)=C(/C=N/C)/C=N/C.
What is the InChIKey of 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The InChIKey is FOGWHBSBCDRXPD-HRFZYNDSSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H,1-4H3/b7-5-,8-6-,13-9+,14-10+.
What are the key properties of 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine?
2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine has a molecular weight of 190.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5Z)-hepta-2,5-dien-4-ylidene]-N,N'-dimethylpropane-1,3-diimine is sourced from PubChem (CID 130178011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).