(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine

C11H17N3 — CID 88735217

IUPAC(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine
SMILES[H]/N=N/N=C\C=C\C=C\C/C=C/CCC
InChIInChI=1S/C11H17N3/c1-2-3-4-5-6-7-8-9-10-11-13-14-12/h4-5,7-12H,2-3,6H2,1H3/b5-4+,8-7+,10-9+,13-11-,14-12+
InChIKeyLFZSAJNWADLCQL-RZFPFZGMSA-N
MW191.28 g/mol
LogP3.86
Rot. Bonds7

About (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine

(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine (PubChem CID 88735217) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine.

Molecular Properties

Compound Name(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine
PubChem CID88735217
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine
SMILES[H]/N=N/N=C\C=C\C=C\C/C=C/CCC
InChIInChI=1S/C11H17N3/c1-2-3-4-5-6-7-8-9-10-11-13-14-12/h4-5,7-12H,2-3,6H2,1H3/b5-4+,8-7+,10-9+,13-11-,14-12+
InChIKeyLFZSAJNWADLCQL-RZFPFZGMSA-N
XLogP3.86
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine?
The IUPAC name of (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine (CID 88735217) is (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine.
What is the SMILES notation for (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine?
The canonical SMILES for (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine is [H]/N=N/N=C\C=C\C=C\C/C=C/CCC.
What is the InChIKey of (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine?
The InChIKey is LFZSAJNWADLCQL-RZFPFZGMSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-4-5-6-7-8-9-10-11-13-14-12/h4-5,7-12H,2-3,6H2,1H3/b5-4+,8-7+,10-9+,13-11-,14-12+.
What are the key properties of (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine?
(2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine has a molecular weight of 191.28 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7E)-N-diazenylundeca-2,4,7-trien-1-imine is sourced from PubChem (CID 88735217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).