2-octadeca-7,8,17-trienoxyethanamine

C20H37NO — CID 155014873

IUPAC2-octadeca-7,8,17-trienoxyethanamine
SMILESC=CCCCCCCCC=C=CCCCCCCOCCN
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2,10,12H,1,3-9,13-21H2
InChIKeyKKICBKWPPCHGDT-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.54
Rot. Bonds17

About 2-octadeca-7,8,17-trienoxyethanamine

2-octadeca-7,8,17-trienoxyethanamine (PubChem CID 155014873) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 2-octadeca-7,8,17-trienoxyethanamine.

Molecular Properties

Compound Name2-octadeca-7,8,17-trienoxyethanamine
PubChem CID155014873
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name2-octadeca-7,8,17-trienoxyethanamine
SMILESC=CCCCCCCCC=C=CCCCCCCOCCN
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2,10,12H,1,3-9,13-21H2
InChIKeyKKICBKWPPCHGDT-UHFFFAOYSA-N
XLogP5.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octadeca-7,8,17-trienoxyethanamine?
The IUPAC name of 2-octadeca-7,8,17-trienoxyethanamine (CID 155014873) is 2-octadeca-7,8,17-trienoxyethanamine.
What is the SMILES notation for 2-octadeca-7,8,17-trienoxyethanamine?
The canonical SMILES for 2-octadeca-7,8,17-trienoxyethanamine is C=CCCCCCCCC=C=CCCCCCCOCCN.
What is the InChIKey of 2-octadeca-7,8,17-trienoxyethanamine?
The InChIKey is KKICBKWPPCHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2,10,12H,1,3-9,13-21H2.
What are the key properties of 2-octadeca-7,8,17-trienoxyethanamine?
2-octadeca-7,8,17-trienoxyethanamine has a molecular weight of 307.52 g/mol, XLogP of 5.54, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadeca-7,8,17-trienoxyethanamine is sourced from PubChem (CID 155014873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).