triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium

C14H26N+ — CID 142854698

IUPACtriethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium
SMILESC=C/C=C\C/C(=C\C)[N+](CC)(CC)CC
InChIInChI=1S/C14H26N/c1-6-11-12-13-14(7-2)15(8-3,9-4)10-5/h6-7,11-12H,1,8-10,13H2,2-5H3/q+1/b12-11-,14-7+
InChIKeyZZVHLHMPZWSYKB-XSLLEFITSA-N
MW208.37 g/mol
LogP3.90
Rot. Bonds7

About triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium

triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium (PubChem CID 142854698) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium.

Molecular Properties

Compound Nametriethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium
PubChem CID142854698
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Nametriethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium
SMILESC=C/C=C\C/C(=C\C)[N+](CC)(CC)CC
InChIInChI=1S/C14H26N/c1-6-11-12-13-14(7-2)15(8-3,9-4)10-5/h6-7,11-12H,1,8-10,13H2,2-5H3/q+1/b12-11-,14-7+
InChIKeyZZVHLHMPZWSYKB-XSLLEFITSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium?
The IUPAC name of triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium (CID 142854698) is triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium.
What is the SMILES notation for triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium?
The canonical SMILES for triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium is C=C/C=C\C/C(=C\C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium?
The InChIKey is ZZVHLHMPZWSYKB-XSLLEFITSA-N. The full InChI is InChI=1S/C14H26N/c1-6-11-12-13-14(7-2)15(8-3,9-4)10-5/h6-7,11-12H,1,8-10,13H2,2-5H3/q+1/b12-11-,14-7+.
What are the key properties of triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium?
triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium has a molecular weight of 208.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium is sourced from PubChem (CID 142854698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).