N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine

C9H11N — CID 118069441

IUPACN-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine
SMILESC=N/C=C\C(C#CC)=C/C
InChIInChI=1S/C9H11N/c1-4-6-9(5-2)7-8-10-3/h5,7-8H,3H2,1-2H3/b8-7-,9-5-
InChIKeyDQOVOFSAPMWUDV-MFXUOLQWSA-N
MW133.19 g/mol
LogP2.17
Rot. Bonds2

About N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine

N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine (PubChem CID 118069441) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine
PubChem CID118069441
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine
SMILESC=N/C=C\C(C#CC)=C/C
InChIInChI=1S/C9H11N/c1-4-6-9(5-2)7-8-10-3/h5,7-8H,3H2,1-2H3/b8-7-,9-5-
InChIKeyDQOVOFSAPMWUDV-MFXUOLQWSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.17
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine?
The IUPAC name of N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine (CID 118069441) is N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine.
What is the SMILES notation for N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine?
The canonical SMILES for N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine is C=N/C=C\C(C#CC)=C/C.
What is the InChIKey of N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine?
The InChIKey is DQOVOFSAPMWUDV-MFXUOLQWSA-N. The full InChI is InChI=1S/C9H11N/c1-4-6-9(5-2)7-8-10-3/h5,7-8H,3H2,1-2H3/b8-7-,9-5-.
What are the key properties of N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine?
N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine has a molecular weight of 133.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine is sourced from PubChem (CID 118069441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).