ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine

C12H20N2 — CID 143289803

IUPACethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine
SMILESCC.[H]N=C(C(/C=C\C=C)=C/C)/C(C)=N/[H]
InChIInChI=1S/C10H14N2.C2H6/c1-4-6-7-9(5-2)10(12)8(3)11;1-2/h4-7,11-12H,1H2,2-3H3;1-2H3/b7-6-,9-5+,11-8+,12-10+;
InChIKeyAWWOSGLMCOIKPJ-IWWMSGEESA-N
MW192.31 g/mol
LogP3.76
Rot. Bonds4

About ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine

ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine (PubChem CID 143289803) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine.

Molecular Properties

Compound Nameethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine
PubChem CID143289803
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine
SMILESCC.[H]N=C(C(/C=C\C=C)=C/C)/C(C)=N/[H]
InChIInChI=1S/C10H14N2.C2H6/c1-4-6-7-9(5-2)10(12)8(3)11;1-2/h4-7,11-12H,1H2,2-3H3;1-2H3/b7-6-,9-5+,11-8+,12-10+;
InChIKeyAWWOSGLMCOIKPJ-IWWMSGEESA-N
XLogP3.76
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine?
The IUPAC name of ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine (CID 143289803) is ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine.
What is the SMILES notation for ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine?
The canonical SMILES for ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine is CC.[H]N=C(C(/C=C\C=C)=C/C)/C(C)=N/[H].
What is the InChIKey of ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine?
The InChIKey is AWWOSGLMCOIKPJ-IWWMSGEESA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-4-6-7-9(5-2)10(12)8(3)11;1-2/h4-7,11-12H,1H2,2-3H3;1-2H3/b7-6-,9-5+,11-8+,12-10+;.
What are the key properties of ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine?
ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine is sourced from PubChem (CID 143289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).