3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine

C12H16N2 — CID 90884099

IUPAC3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
SMILESC=CC(=C/C=N/C)C(C=CN=C)=CC
InChIInChI=1S/C12H16N2/c1-5-11(7-9-13-3)12(6-2)8-10-14-4/h5-10H,1,4H2,2-3H3/b10-8?,11-7?,12-6?,13-9+
InChIKeyYCVHENOYBBGDHU-AZEGYHFMSA-N
MW188.27 g/mol
LogP2.96
Rot. Bonds5

About 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine

3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine (PubChem CID 90884099) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
PubChem CID90884099
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
SMILESC=CC(=C/C=N/C)C(C=CN=C)=CC
InChIInChI=1S/C12H16N2/c1-5-11(7-9-13-3)12(6-2)8-10-14-4/h5-10H,1,4H2,2-3H3/b10-8?,11-7?,12-6?,13-9+
InChIKeyYCVHENOYBBGDHU-AZEGYHFMSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.96
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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Related Compounds

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
Benzazocine
CID 19879720
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine
CID 163535079
(Z)-N-[(E)-2-[(3Z,5Z)-3,7-dimethyl-2H-azocin-7-yl]ethenyl]-3-fluoroprop-2-en-1-imine
CID 173711571
1,5-Benzodiazocine
CID 23633143

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine?
The IUPAC name of 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine (CID 90884099) is 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine.
What is the SMILES notation for 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine?
The canonical SMILES for 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine is C=CC(=C/C=N/C)C(C=CN=C)=CC.
What is the InChIKey of 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine?
The InChIKey is YCVHENOYBBGDHU-AZEGYHFMSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-11(7-9-13-3)12(6-2)8-10-14-4/h5-10H,1,4H2,2-3H3/b10-8?,11-7?,12-6?,13-9+.
What are the key properties of 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine?
3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine has a molecular weight of 188.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine is sourced from PubChem (CID 90884099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).