(E)-octadec-9-en-1-imine

C18H35N — CID 19602050

IUPAC(E)-octadec-9-en-1-imine
SMILES[H]/N=C/CCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18-19H,2-8,11-17H2,1H3/b10-9+,19-18+
InChIKeyGUPHSXFENQSOGV-KONNGCMJSA-N
MW265.48 g/mol
LogP6.67
Rot. Bonds15

About (E)-octadec-9-en-1-imine

(E)-octadec-9-en-1-imine (PubChem CID 19602050) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (E)-octadec-9-en-1-imine.

Molecular Properties

Compound Name(E)-octadec-9-en-1-imine
PubChem CID19602050
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(E)-octadec-9-en-1-imine
SMILES[H]/N=C/CCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18-19H,2-8,11-17H2,1H3/b10-9+,19-18+
InChIKeyGUPHSXFENQSOGV-KONNGCMJSA-N
XLogP6.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.67
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-octadec-9-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-9-en-1-imine?
The IUPAC name of (E)-octadec-9-en-1-imine (CID 19602050) is (E)-octadec-9-en-1-imine.
What is the SMILES notation for (E)-octadec-9-en-1-imine?
The canonical SMILES for (E)-octadec-9-en-1-imine is [H]/N=C/CCCCCCC/C=C/CCCCCCCC.
What is the InChIKey of (E)-octadec-9-en-1-imine?
The InChIKey is GUPHSXFENQSOGV-KONNGCMJSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18-19H,2-8,11-17H2,1H3/b10-9+,19-18+.
What are the key properties of (E)-octadec-9-en-1-imine?
(E)-octadec-9-en-1-imine has a molecular weight of 265.48 g/mol, XLogP of 6.67, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-9-en-1-imine is sourced from PubChem (CID 19602050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).