dimethyl-bis[(E)-oct-2-enyl]azanium

C18H36N+ — CID 102116304

IUPACdimethyl-bis[(E)-oct-2-enyl]azanium
SMILESCCCCC/C=C/C[N+](C)(C)C/C=C/CCCCC
InChIInChI=1S/C18H36N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3/q+1/b15-13+,16-14+
InChIKeyLFZQQGYNTVJHPM-WXUKJITCSA-N
MW266.49 g/mol
LogP5.34
Rot. Bonds12

About dimethyl-bis[(E)-oct-2-enyl]azanium

dimethyl-bis[(E)-oct-2-enyl]azanium (PubChem CID 102116304) has the molecular formula C18H36N+ and a molecular weight of 266.49 g/mol. Its IUPAC name is dimethyl-bis[(E)-oct-2-enyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[(E)-oct-2-enyl]azanium
PubChem CID102116304
Molecular FormulaC18H36N+
Molecular Weight266.49 g/mol
Exact Mass266.28
IUPAC Namedimethyl-bis[(E)-oct-2-enyl]azanium
SMILESCCCCC/C=C/C[N+](C)(C)C/C=C/CCCCC
InChIInChI=1S/C18H36N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3/q+1/b15-13+,16-14+
InChIKeyLFZQQGYNTVJHPM-WXUKJITCSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 55.34
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

henicos-2-enyl-dimethyl-prop-2-enylazanium
CID 141448717
trimethyl-[(E)-oct-2-enyl]azanium bromide
CID 19848208
trimethyl-[(E)-octadec-2-enyl]azanium bromide
CID 19848237
[(E)-dodec-2-enyl]-trimethylazanium chloride
CID 19848238
N,N-dimethylpentadec-2-en-1-amine oxide
CID 175129932
ethyl-tris[(E)-oct-2-enyl]azanium
CID 102116330
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[(E)-oct-2-enyl]azanium?
The IUPAC name of dimethyl-bis[(E)-oct-2-enyl]azanium (CID 102116304) is dimethyl-bis[(E)-oct-2-enyl]azanium.
What is the SMILES notation for dimethyl-bis[(E)-oct-2-enyl]azanium?
The canonical SMILES for dimethyl-bis[(E)-oct-2-enyl]azanium is CCCCC/C=C/C[N+](C)(C)C/C=C/CCCCC.
What is the InChIKey of dimethyl-bis[(E)-oct-2-enyl]azanium?
The InChIKey is LFZQQGYNTVJHPM-WXUKJITCSA-N. The full InChI is InChI=1S/C18H36N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3/q+1/b15-13+,16-14+.
What are the key properties of dimethyl-bis[(E)-oct-2-enyl]azanium?
dimethyl-bis[(E)-oct-2-enyl]azanium has a molecular weight of 266.49 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(E)-oct-2-enyl]azanium is sourced from PubChem (CID 102116304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).