(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine

C16H31N — CID 14455016

IUPAC(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine
SMILESCCCCCC/C=C/N/C=C/CCCCCC
InChIInChI=1S/C16H31N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h13-17H,3-12H2,1-2H3/b15-13+,16-14+
InChIKeyGURKJXUTWJJUSQ-WXUKJITCSA-N
MW237.43 g/mol
LogP5.54
Rot. Bonds12

About (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine

(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine (PubChem CID 14455016) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine
PubChem CID14455016
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine
SMILESCCCCCC/C=C/N/C=C/CCCCCC
InChIInChI=1S/C16H31N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h13-17H,3-12H2,1-2H3/b15-13+,16-14+
InChIKeyGURKJXUTWJJUSQ-WXUKJITCSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine 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)-N-[(E)-oct-1-enyl]oct-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine (CID 14455016) is (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine is CCCCCC/C=C/N/C=C/CCCCCC.
What is the InChIKey of (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine?
The InChIKey is GURKJXUTWJJUSQ-WXUKJITCSA-N. The full InChI is InChI=1S/C16H31N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h13-17H,3-12H2,1-2H3/b15-13+,16-14+.
What are the key properties of (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine?
(E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-oct-1-enyl]oct-1-en-1-amine is sourced from PubChem (CID 14455016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).