2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium

C19H35Br2N2O+ — CID 46911006

IUPAC2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C19H34Br2N2O/c1-23(2,3)17-16-22-19(24)15-13-11-9-7-5-4-6-8-10-12-14-18(20)21/h13-15H,4-12,16-17H2,1-3H3/p+1/b15-13+
InChIKeyUFXMAXKBVZLQAX-FYWRMAATSA-O
MW467.31 g/mol
LogP5.51
Rot. Bonds14

About 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium

2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium (PubChem CID 46911006) has the molecular formula C19H35Br2N2O+ and a molecular weight of 467.31 g/mol. Its IUPAC name is 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium
PubChem CID46911006
Molecular FormulaC19H35Br2N2O+
Molecular Weight467.31 g/mol
Exact Mass465.11
IUPAC Name2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C19H34Br2N2O/c1-23(2,3)17-16-22-19(24)15-13-11-9-7-5-4-6-8-10-12-14-18(20)21/h13-15H,4-12,16-17H2,1-3H3/p+1/b15-13+
InChIKeyUFXMAXKBVZLQAX-FYWRMAATSA-O
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.31
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium 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 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium (CID 46911006) is 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium is C[N+](C)(C)CCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br.
What is the InChIKey of 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium?
The InChIKey is UFXMAXKBVZLQAX-FYWRMAATSA-O. The full InChI is InChI=1S/C19H34Br2N2O/c1-23(2,3)17-16-22-19(24)15-13-11-9-7-5-4-6-8-10-12-14-18(20)21/h13-15H,4-12,16-17H2,1-3H3/p+1/b15-13+.
What are the key properties of 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium?
2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium has a molecular weight of 467.31 g/mol, XLogP of 5.51, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 46911006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).