(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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Related Compounds

N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713
(Z)-2-(1-carboxyprop-2-enylideneamino)but-2-enoic acid
CID 129103558
dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate
CID 155276953
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
N-[(E)-[(4Z)-4-ethenoxyhexa-1,4-dien-3-ylidene]amino]methanamine
CID 142233106
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623

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).