N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine

C13H23N — CID 170367821

IUPACN-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine
SMILESC/C=C(\C=C/N=C/C)CCCCCC
InChIInChI=1S/C13H23N/c1-4-7-8-9-10-13(5-2)11-12-14-6-3/h5-6,11-12H,4,7-10H2,1-3H3/b12-11-,13-5-,14-6+
InChIKeyOCYBEQOLHQDBFI-GCKAZMEWSA-N
MW193.33 g/mol
LogP4.51
Rot. Bonds7

About N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine

N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine (PubChem CID 170367821) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine
PubChem CID170367821
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine
SMILESC/C=C(\C=C/N=C/C)CCCCCC
InChIInChI=1S/C13H23N/c1-4-7-8-9-10-13(5-2)11-12-14-6-3/h5-6,11-12H,4,7-10H2,1-3H3/b12-11-,13-5-,14-6+
InChIKeyOCYBEQOLHQDBFI-GCKAZMEWSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine?
The IUPAC name of N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine (CID 170367821) is N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine?
The canonical SMILES for N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine is C/C=C(\C=C/N=C/C)CCCCCC.
What is the InChIKey of N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine?
The InChIKey is OCYBEQOLHQDBFI-GCKAZMEWSA-N. The full InChI is InChI=1S/C13H23N/c1-4-7-8-9-10-13(5-2)11-12-14-6-3/h5-6,11-12H,4,7-10H2,1-3H3/b12-11-,13-5-,14-6+.
What are the key properties of N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine?
N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine has a molecular weight of 193.33 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-3-ethylidenenon-1-enyl]ethanimine is sourced from PubChem (CID 170367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).