(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane

C23H40N2 — CID 153355166

IUPAC(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane
SMILESC=C/C=C(C=C)\C(=N/C=C)C(/N=C/C)=C(C)\C=C/C.CC.CC.CC
InChIInChI=1S/C17H22N2.3C2H6/c1-7-12-14(6)16(18-10-4)17(19-11-5)15(9-3)13-8-2;3*1-2/h7-13H,2-3,5H2,1,4,6H3;3*1-2H3/b12-7-,15-13-,16-14-,18-10+,19-17+;;;
InChIKeyZUOYGOQIYWIGBG-QRHYIRLHSA-N
MW344.59 g/mol
LogP7.89
Rot. Bonds7

About (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane

(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane (PubChem CID 153355166) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane.

Molecular Properties

Compound Name(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane
PubChem CID153355166
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane
SMILESC=C/C=C(C=C)\C(=N/C=C)C(/N=C/C)=C(C)\C=C/C.CC.CC.CC
InChIInChI=1S/C17H22N2.3C2H6/c1-7-12-14(6)16(18-10-4)17(19-11-5)15(9-3)13-8-2;3*1-2/h7-13H,2-3,5H2,1,4,6H3;3*1-2H3/b12-7-,15-13-,16-14-,18-10+,19-17+;;;
InChIKeyZUOYGOQIYWIGBG-QRHYIRLHSA-N
XLogP7.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 57.89
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'}

Analyze (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
[(2Z,4Z)-3,4-bis[(E)-2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
CID 57679311
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
[9-(Dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 72519405
[3,4-Bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
CID 76590532
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
CID 90829351
N-[9-(3-methylbut-1-enyl)-1-benzazocin-10-yl]methanimine
CID 90847928
3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
CID 90884099
N,3-bis(ethenyl)-N'-methyl-2-methylidenehex-3-ene-1,6-diimine
CID 90904084

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane?
The IUPAC name of (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane (CID 153355166) is (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane.
What is the SMILES notation for (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane?
The canonical SMILES for (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane is C=C/C=C(C=C)\C(=N/C=C)C(/N=C/C)=C(C)\C=C/C.CC.CC.CC.
What is the InChIKey of (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane?
The InChIKey is ZUOYGOQIYWIGBG-QRHYIRLHSA-N. The full InChI is InChI=1S/C17H22N2.3C2H6/c1-7-12-14(6)16(18-10-4)17(19-11-5)15(9-3)13-8-2;3*1-2/h7-13H,2-3,5H2,1,4,6H3;3*1-2H3/b12-7-,15-13-,16-14-,18-10+,19-17+;;;.
What are the key properties of (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane?
(3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane has a molecular weight of 344.59 g/mol, XLogP of 7.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z)-5-N,4-bis(ethenyl)-6-N-ethylidene-7-methyldeca-1,3,6,8-tetraene-5,6-diimine;ethane is sourced from PubChem (CID 153355166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).