(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine

C9H14N2 — CID 118901632

IUPAC(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
SMILES[H]/N=C/C/C=C\C=C/C/N=C/C
InChIInChI=1S/C9H14N2/c1-2-11-9-7-5-3-4-6-8-10/h2-5,7-8,10H,6,9H2,1H3/b4-3-,7-5-,10-8+,11-2+
InChIKeyUUCTVXQCFCWQGO-KACRTGKDSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds5

About (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine

(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine (PubChem CID 118901632) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine.

Molecular Properties

Compound Name(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
PubChem CID118901632
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
SMILES[H]/N=C/C/C=C\C=C/C/N=C/C
InChIInChI=1S/C9H14N2/c1-2-11-9-7-5-3-4-6-8-10/h2-5,7-8,10H,6,9H2,1H3/b4-3-,7-5-,10-8+,11-2+
InChIKeyUUCTVXQCFCWQGO-KACRTGKDSA-N
XLogP2.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine?
The IUPAC name of (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine (CID 118901632) is (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine.
What is the SMILES notation for (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine?
The canonical SMILES for (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine is [H]/N=C/C/C=C\C=C/C/N=C/C.
What is the InChIKey of (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine?
The InChIKey is UUCTVXQCFCWQGO-KACRTGKDSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-11-9-7-5-3-4-6-8-10/h2-5,7-8,10H,6,9H2,1H3/b4-3-,7-5-,10-8+,11-2+.
What are the key properties of (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine?
(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine is sourced from PubChem (CID 118901632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).