N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine

C12H16N2 — CID 90904084

IUPACN,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine
SMILESC=C/N=C/C(=C)C(C=C)=CC/C=N/C
InChIInChI=1S/C12H16N2/c1-5-12(8-7-9-13-4)11(3)10-14-6-2/h5-6,8-10H,1-3,7H2,4H3/b12-8?,13-9+,14-10+
InChIKeyHGZYAHWPBWBNQE-BJHACKFKSA-N
MW188.27 g/mol
LogP2.96
Rot. Bonds6

About N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine

N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine (PubChem CID 90904084) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine.

Molecular Properties

Compound NameN,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine
PubChem CID90904084
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine
SMILESC=C/N=C/C(=C)C(C=C)=CC/C=N/C
InChIInChI=1S/C12H16N2/c1-5-12(8-7-9-13-4)11(3)10-14-6-2/h5-6,8-10H,1-3,7H2,4H3/b12-8?,13-9+,14-10+
InChIKeyHGZYAHWPBWBNQE-BJHACKFKSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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
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2H-1,4-Benzodiazepine
CID 21162934
(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
(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
(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759772
(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
(Z)-N-[(E)-2-[(3Z,5Z)-3,7-dimethyl-2H-azocin-7-yl]ethenyl]-3-fluoroprop-2-en-1-imine
CID 173711571
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900

Frequently Asked Questions

What is the IUPAC name of N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine?
The IUPAC name of N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine (CID 90904084) is N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine.
What is the SMILES notation for N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine?
The canonical SMILES for N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine is C=C/N=C/C(=C)C(C=C)=CC/C=N/C.
What is the InChIKey of N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine?
The InChIKey is HGZYAHWPBWBNQE-BJHACKFKSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-12(8-7-9-13-4)11(3)10-14-6-2/h5-6,8-10H,1-3,7H2,4H3/b12-8?,13-9+,14-10+.
What are the key properties of N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine?
N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine has a molecular weight of 188.27 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine is sourced from PubChem (CID 90904084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).