10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium

C30H41N5P+ — CID 118889198

IUPAC10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41N5P/c31-29(32)35-30(33)34-24-16-5-3-1-2-4-6-17-25-36(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H6,31,32,33,34,35)/q+1
InChIKeyRBZOQWWXEOQZRU-UHFFFAOYSA-N
MW502.67 g/mol
LogP4.69
Rot. Bonds14

About 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium

10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium (PubChem CID 118889198) has the molecular formula C30H41N5P+ and a molecular weight of 502.67 g/mol. Its IUPAC name is 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium.

Molecular Properties

Compound Name10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium
PubChem CID118889198
Molecular FormulaC30H41N5P+
Molecular Weight502.67 g/mol
Exact Mass502.31
IUPAC Name10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41N5P/c31-29(32)35-30(33)34-24-16-5-3-1-2-4-6-17-25-36(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H6,31,32,33,34,35)/q+1
InChIKeyRBZOQWWXEOQZRU-UHFFFAOYSA-N
XLogP4.69
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.67
LogP ≤ 54.69
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'}

Analyze 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium 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 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium?
The IUPAC name of 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium (CID 118889198) is 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium.
What is the SMILES notation for 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium?
The canonical SMILES for 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium is NC(N)=N/C(N)=N/CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium?
The InChIKey is RBZOQWWXEOQZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5P/c31-29(32)35-30(33)34-24-16-5-3-1-2-4-6-17-25-36(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H6,31,32,33,34,35)/q+1.
What are the key properties of 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium?
10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium has a molecular weight of 502.67 g/mol, XLogP of 4.69, 14 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium is sourced from PubChem (CID 118889198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).