6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium

C26H33N5P+ — CID 118889180

IUPAC6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N5P/c27-25(28)31-26(29)30-20-12-1-2-13-21-32(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H6,27,28,29,30,31)/q+1
InChIKeyWDYXLYCOUQSEHL-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.13
Rot. Bonds10

About 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium

6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium (PubChem CID 118889180) has the molecular formula C26H33N5P+ and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium.

Molecular Properties

Compound Name6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium
PubChem CID118889180
Molecular FormulaC26H33N5P+
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N5P/c27-25(28)31-26(29)30-20-12-1-2-13-21-32(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H6,27,28,29,30,31)/q+1
InChIKeyWDYXLYCOUQSEHL-UHFFFAOYSA-N
XLogP3.13
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium?
The IUPAC name of 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium (CID 118889180) is 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium.
What is the SMILES notation for 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium?
The canonical SMILES for 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium is NC(N)=N/C(N)=N/CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium?
The InChIKey is WDYXLYCOUQSEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5P/c27-25(28)31-26(29)30-20-12-1-2-13-21-32(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H6,27,28,29,30,31)/q+1.
What are the key properties of 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium?
6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium has a molecular weight of 446.56 g/mol, XLogP of 3.13, 10 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium is sourced from PubChem (CID 118889180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).