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

C10H19N — CID 143213244

IUPACethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C\CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5+,8-7-,9-4+;
InChIKeyDIPCQGWIPFIELI-WTXQSISPSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds3

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

ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine (PubChem CID 143213244) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine
PubChem CID143213244
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C\CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5+,8-7-,9-4+;
InChIKeyDIPCQGWIPFIELI-WTXQSISPSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.58
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 ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine (CID 143213244) is ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine is C/C=N/C=C\C=C\CC.CC.
What is the InChIKey of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine?
The InChIKey is DIPCQGWIPFIELI-WTXQSISPSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-3-5-6-7-8-9-4-2;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-5+,8-7-,9-4+;.
What are the key properties of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine?
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine has a molecular weight of 153.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 143213244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).