(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine

C8H12N2 — CID 134360187

IUPAC(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
SMILESC=C/C(=N\C)C(=CC)N=C
InChIInChI=1S/C8H12N2/c1-5-7(9-3)8(6-2)10-4/h5-6H,1,4H2,2-3H3/b8-6-,9-7+
InChIKeyXSLYDGCHZQVSJF-MKKAVFGOSA-N
MW136.20 g/mol
LogP1.85
Rot. Bonds3

About (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine

(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine (PubChem CID 134360187) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine.

Molecular Properties

Compound Name(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
PubChem CID134360187
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
SMILESC=C/C(=N\C)C(=CC)N=C
InChIInChI=1S/C8H12N2/c1-5-7(9-3)8(6-2)10-4/h5-6H,1,4H2,2-3H3/b8-6-,9-7+
InChIKeyXSLYDGCHZQVSJF-MKKAVFGOSA-N
XLogP1.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine?
The IUPAC name of (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine (CID 134360187) is (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine.
What is the SMILES notation for (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine?
The canonical SMILES for (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine is C=C/C(=N\C)C(=CC)N=C.
What is the InChIKey of (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine?
The InChIKey is XSLYDGCHZQVSJF-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-7(9-3)8(6-2)10-4/h5-6H,1,4H2,2-3H3/b8-6-,9-7+.
What are the key properties of (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine?
(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine is sourced from PubChem (CID 134360187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).