methyl-tris[(E)-oct-5-enyl]azanium

C25H48N+ — CID 102116312

IUPACmethyl-tris[(E)-oct-5-enyl]azanium
SMILESCC/C=C/CCCC[N+](C)(CCCC/C=C/CC)CCCC/C=C/CC
InChIInChI=1S/C25H48N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h8-13H,5-7,14-25H2,1-4H3/q+1/b11-8+,12-9+,13-10+
InChIKeyPBDFALJHQXTQDG-FOXWYSRTSA-N
MW362.67 g/mol
LogP7.84
Rot. Bonds18

About methyl-tris[(E)-oct-5-enyl]azanium

methyl-tris[(E)-oct-5-enyl]azanium (PubChem CID 102116312) has the molecular formula C25H48N+ and a molecular weight of 362.67 g/mol. Its IUPAC name is methyl-tris[(E)-oct-5-enyl]azanium.

Molecular Properties

Compound Namemethyl-tris[(E)-oct-5-enyl]azanium
PubChem CID102116312
Molecular FormulaC25H48N+
Molecular Weight362.67 g/mol
Exact Mass362.38
IUPAC Namemethyl-tris[(E)-oct-5-enyl]azanium
SMILESCC/C=C/CCCC[N+](C)(CCCC/C=C/CC)CCCC/C=C/CC
InChIInChI=1S/C25H48N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h8-13H,5-7,14-25H2,1-4H3/q+1/b11-8+,12-9+,13-10+
InChIKeyPBDFALJHQXTQDG-FOXWYSRTSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3E,16E)-nonadeca-3,16-diene
CID 157471321
bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium
CID 6912877
2-hydroxyethyl-bis(icos-9-enyl)-methylazanium
CID 173220968
(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide
CID 102116456
diethyl-methyl-[(Z)-octadec-9-enyl]azanium chloride
CID 88520023
(E)-non-3-ene
CID 5364445
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250

Frequently Asked Questions

What is the IUPAC name of methyl-tris[(E)-oct-5-enyl]azanium?
The IUPAC name of methyl-tris[(E)-oct-5-enyl]azanium (CID 102116312) is methyl-tris[(E)-oct-5-enyl]azanium.
What is the SMILES notation for methyl-tris[(E)-oct-5-enyl]azanium?
The canonical SMILES for methyl-tris[(E)-oct-5-enyl]azanium is CC/C=C/CCCC[N+](C)(CCCC/C=C/CC)CCCC/C=C/CC.
What is the InChIKey of methyl-tris[(E)-oct-5-enyl]azanium?
The InChIKey is PBDFALJHQXTQDG-FOXWYSRTSA-N. The full InChI is InChI=1S/C25H48N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h8-13H,5-7,14-25H2,1-4H3/q+1/b11-8+,12-9+,13-10+.
What are the key properties of methyl-tris[(E)-oct-5-enyl]azanium?
methyl-tris[(E)-oct-5-enyl]azanium has a molecular weight of 362.67 g/mol, XLogP of 7.84, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris[(E)-oct-5-enyl]azanium is sourced from PubChem (CID 102116312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).