(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine

C20H25N — CID 130193572

IUPAC(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C/C)C(=C)/C=C\N=C(C)\C(/C=C\C=C)=C\C
InChIInChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)15-16-21-18(6)20(10-4)14-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,14-12-,16-15-,19-9+,20-10+,21-18+
InChIKeyRZXNIYJSEHKHFE-NRYRYESFSA-N
MW279.43 g/mol
LogP5.89
Rot. Bonds8

About (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine

(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine (PubChem CID 130193572) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine
PubChem CID130193572
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C/C)C(=C)/C=C\N=C(C)\C(/C=C\C=C)=C\C
InChIInChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)15-16-21-18(6)20(10-4)14-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,14-12-,16-15-,19-9+,20-10+,21-18+
InChIKeyRZXNIYJSEHKHFE-NRYRYESFSA-N
XLogP5.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine?
The IUPAC name of (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine (CID 130193572) is (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine?
The canonical SMILES for (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine is C=C/C=C\C(=C/C)C(=C)/C=C\N=C(C)\C(/C=C\C=C)=C\C.
What is the InChIKey of (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine?
The InChIKey is RZXNIYJSEHKHFE-NRYRYESFSA-N. The full InChI is InChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)15-16-21-18(6)20(10-4)14-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,14-12-,16-15-,19-9+,20-10+,21-18+.
What are the key properties of (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine?
(3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine has a molecular weight of 279.43 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-N-[(1Z,4E,5Z)-4-ethylidene-3-methylideneocta-1,5,7-trienyl]hepta-4,6-dien-2-imine is sourced from PubChem (CID 130193572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).