(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium

C15H31N2+ — CID 123433478

IUPAC(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium
SMILESCCCC=C(C=CC(C)C(C)C)N[N+](C)(C)C
InChIInChI=1S/C15H31N2/c1-8-9-10-15(16-17(5,6)7)12-11-14(4)13(2)3/h10-14,16H,8-9H2,1-7H3/q+1
InChIKeyIFYHDVNPEILGQL-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.73
Rot. Bonds7

About (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium

(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium (PubChem CID 123433478) has the molecular formula C15H31N2+ and a molecular weight of 239.43 g/mol. Its IUPAC name is (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium.

Molecular Properties

Compound Name(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium
PubChem CID123433478
Molecular FormulaC15H31N2+
Molecular Weight239.43 g/mol
Exact Mass239.25
IUPAC Name(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium
SMILESCCCC=C(C=CC(C)C(C)C)N[N+](C)(C)C
InChIInChI=1S/C15H31N2/c1-8-9-10-15(16-17(5,6)7)12-11-14(4)13(2)3/h10-14,16H,8-9H2,1-7H3/q+1
InChIKeyIFYHDVNPEILGQL-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8,9-dimethyldeca-4,6-dien-5-ylamino)-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 (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium?
The IUPAC name of (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium (CID 123433478) is (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium.
What is the SMILES notation for (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium?
The canonical SMILES for (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium is CCCC=C(C=CC(C)C(C)C)N[N+](C)(C)C.
What is the InChIKey of (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium?
The InChIKey is IFYHDVNPEILGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2/c1-8-9-10-15(16-17(5,6)7)12-11-14(4)13(2)3/h10-14,16H,8-9H2,1-7H3/q+1.
What are the key properties of (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium?
(8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium has a molecular weight of 239.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9-dimethyldeca-4,6-dien-5-ylamino)-trimethylazanium is sourced from PubChem (CID 123433478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).