5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine

C18H20N2 — CID 134345768

IUPAC5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine
SMILESC=c1ccccc(=C)c(C(/C=C\C)=C/C=C\C)ncn1
InChIInChI=1S/C18H20N2/c1-5-7-13-17(10-6-2)18-15(3)11-8-9-12-16(4)19-14-20-18/h5-14H,3-4H2,1-2H3/b7-5-,10-6-,11-8+,12-9-,17-13+,19-14+,20-18+
InChIKeyCQMNKAUEHZEVIP-COWFMZNHSA-N
MW264.37 g/mol
LogP2.96
Rot. Bonds3

About 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine

5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine (PubChem CID 134345768) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine.

Molecular Properties

Compound Name5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine
PubChem CID134345768
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine
SMILESC=c1ccccc(=C)c(C(/C=C\C)=C/C=C\C)ncn1
InChIInChI=1S/C18H20N2/c1-5-7-13-17(10-6-2)18-15(3)11-8-9-12-16(4)19-14-20-18/h5-14H,3-4H2,1-2H3/b7-5-,10-6-,11-8+,12-9-,17-13+,19-14+,20-18+
InChIKeyCQMNKAUEHZEVIP-COWFMZNHSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738
N-[(5E)-5,6-di(ethylidene)pyrimidin-4-yl]pent-1-en-3-imine
CID 123454928
(4Z,5E)-5-[(2E,5Z,7Z)-5-ethenyl-3,7-dimethylnona-2,5,7-trienylidene]-4-propylidenepyrimidine
CID 126516283
N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide
CID 134364888
N-[(3E,4E)-6-[[(Z)-but-2-enylidene]amino]-3-ethylidene-2-methylidene-5-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-4,6-dienylidene]-N'-methylethanimidamide
CID 135198921
(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
CID 138486150
(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
CID 139435840
ethane;N-[(3E)-3-ethenylhexa-3,5-dien-2-ylidene]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]propanimidamide
CID 142539044
(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine
CID 142848419
(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine
CID 143095256

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine?
The IUPAC name of 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine (CID 134345768) is 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine.
What is the SMILES notation for 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine?
The canonical SMILES for 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine is C=c1ccccc(=C)c(C(/C=C\C)=C/C=C\C)ncn1.
What is the InChIKey of 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine?
The InChIKey is CQMNKAUEHZEVIP-COWFMZNHSA-N. The full InChI is InChI=1S/C18H20N2/c1-5-7-13-17(10-6-2)18-15(3)11-8-9-12-16(4)19-14-20-18/h5-14H,3-4H2,1-2H3/b7-5-,10-6-,11-8+,12-9-,17-13+,19-14+,20-18+.
What are the key properties of 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine?
5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine has a molecular weight of 264.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethylidene-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3-diazecine is sourced from PubChem (CID 134345768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).