N-octa-1,3-dienyloct-3-en-1-imine

C16H27N — CID 57155630

IUPACN-octa-1,3-dienyloct-3-en-1-imine
SMILESCCCCC=CC=C/N=C/CC=CCCCC
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-13,15-16H,3-8,14H2,1-2H3/b11-9?,12-10?,15-13?,17-16+
InChIKeyGUQMUBUHFSRZDW-XNDZDTSHSA-N
MW233.40 g/mol
LogP5.45
Rot. Bonds10

About N-octa-1,3-dienyloct-3-en-1-imine

N-octa-1,3-dienyloct-3-en-1-imine (PubChem CID 57155630) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-octa-1,3-dienyloct-3-en-1-imine.

Molecular Properties

Compound NameN-octa-1,3-dienyloct-3-en-1-imine
PubChem CID57155630
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-octa-1,3-dienyloct-3-en-1-imine
SMILESCCCCC=CC=C/N=C/CC=CCCCC
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-13,15-16H,3-8,14H2,1-2H3/b11-9?,12-10?,15-13?,17-16+
InChIKeyGUQMUBUHFSRZDW-XNDZDTSHSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.45
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-octa-1,3-dienyloct-3-en-1-imine?
The IUPAC name of N-octa-1,3-dienyloct-3-en-1-imine (CID 57155630) is N-octa-1,3-dienyloct-3-en-1-imine.
What is the SMILES notation for N-octa-1,3-dienyloct-3-en-1-imine?
The canonical SMILES for N-octa-1,3-dienyloct-3-en-1-imine is CCCCC=CC=C/N=C/CC=CCCCC.
What is the InChIKey of N-octa-1,3-dienyloct-3-en-1-imine?
The InChIKey is GUQMUBUHFSRZDW-XNDZDTSHSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-13,15-16H,3-8,14H2,1-2H3/b11-9?,12-10?,15-13?,17-16+.
What are the key properties of N-octa-1,3-dienyloct-3-en-1-imine?
N-octa-1,3-dienyloct-3-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octa-1,3-dienyloct-3-en-1-imine is sourced from PubChem (CID 57155630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).