octadeca-3,5-dien-1-imine

C18H33N — CID 54364726

IUPACoctadeca-3,5-dien-1-imine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCC
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-16,18-19H,2-12,17H2,1H3/b14-13?,16-15?,19-18+
InChIKeyUOZCXKZLPSOHAG-QHZGTFPUSA-N
MW263.47 g/mol
LogP6.45
Rot. Bonds14

About octadeca-3,5-dien-1-imine

octadeca-3,5-dien-1-imine (PubChem CID 54364726) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is octadeca-3,5-dien-1-imine.

Molecular Properties

Compound Nameoctadeca-3,5-dien-1-imine
PubChem CID54364726
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameoctadeca-3,5-dien-1-imine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCC
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-16,18-19H,2-12,17H2,1H3/b14-13?,16-15?,19-18+
InChIKeyUOZCXKZLPSOHAG-QHZGTFPUSA-N
XLogP6.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.45
H-Bond Donors ≤ 51
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 octadeca-3,5-dien-1-imine?
The IUPAC name of octadeca-3,5-dien-1-imine (CID 54364726) is octadeca-3,5-dien-1-imine.
What is the SMILES notation for octadeca-3,5-dien-1-imine?
The canonical SMILES for octadeca-3,5-dien-1-imine is [H]/N=C/CC=CC=CCCCCCCCCCCCC.
What is the InChIKey of octadeca-3,5-dien-1-imine?
The InChIKey is UOZCXKZLPSOHAG-QHZGTFPUSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-16,18-19H,2-12,17H2,1H3/b14-13?,16-15?,19-18+.
What are the key properties of octadeca-3,5-dien-1-imine?
octadeca-3,5-dien-1-imine has a molecular weight of 263.47 g/mol, XLogP of 6.45, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-3,5-dien-1-imine is sourced from PubChem (CID 54364726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).