N-[(1Z)-hexa-1,3-dienyl]ethanimine

C8H13N — CID 90803337

IUPACN-[(1Z)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=CCC
InChIInChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h4-8H,3H2,1-2H3/b6-5?,8-7-,9-4+
InChIKeyYPASRIVVLCHHLZ-VIBFGBQTSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-[(1Z)-hexa-1,3-dienyl]ethanimine

N-[(1Z)-hexa-1,3-dienyl]ethanimine (PubChem CID 90803337) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(1Z)-hexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-hexa-1,3-dienyl]ethanimine
PubChem CID90803337
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(1Z)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=CCC
InChIInChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h4-8H,3H2,1-2H3/b6-5?,8-7-,9-4+
InChIKeyYPASRIVVLCHHLZ-VIBFGBQTSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-hexa-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-hexa-1,3-dienyl]ethanimine (CID 90803337) is N-[(1Z)-hexa-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-hexa-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-hexa-1,3-dienyl]ethanimine is C/C=N/C=C\C=CCC.
What is the InChIKey of N-[(1Z)-hexa-1,3-dienyl]ethanimine?
The InChIKey is YPASRIVVLCHHLZ-VIBFGBQTSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h4-8H,3H2,1-2H3/b6-5?,8-7-,9-4+.
What are the key properties of N-[(1Z)-hexa-1,3-dienyl]ethanimine?
N-[(1Z)-hexa-1,3-dienyl]ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-hexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 90803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).