butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium

C16H35NO2P2+2 — CID 6329706

IUPACbutyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium
SMILESCCCCN(CC[P+](=O)CCCC)CC[P+](=O)CCCC
InChIInChI=1S/C16H35NO2P2/c1-4-7-10-17(11-15-20(18)13-8-5-2)12-16-21(19)14-9-6-3/h4-16H2,1-3H3/q+2
InChIKeyFWWFIUDGEOLESI-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.34
Rot. Bonds15

About butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium

butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium (PubChem CID 6329706) has the molecular formula C16H35NO2P2+2 and a molecular weight of 335.41 g/mol. Its IUPAC name is butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium.

Molecular Properties

Compound Namebutyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium
PubChem CID6329706
Molecular FormulaC16H35NO2P2+2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Namebutyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium
SMILESCCCCN(CC[P+](=O)CCCC)CC[P+](=O)CCCC
InChIInChI=1S/C16H35NO2P2/c1-4-7-10-17(11-15-20(18)13-8-5-2)12-16-21(19)14-9-6-3/h4-16H2,1-3H3/q+2
InChIKeyFWWFIUDGEOLESI-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium 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 butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium?
The IUPAC name of butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium (CID 6329706) is butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium.
What is the SMILES notation for butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium?
The canonical SMILES for butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium is CCCCN(CC[P+](=O)CCCC)CC[P+](=O)CCCC.
What is the InChIKey of butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium?
The InChIKey is FWWFIUDGEOLESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2P2/c1-4-7-10-17(11-15-20(18)13-8-5-2)12-16-21(19)14-9-6-3/h4-16H2,1-3H3/q+2.
What are the key properties of butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium?
butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium has a molecular weight of 335.41 g/mol, XLogP of 5.34, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[butyl-[2-[butyl(oxo)phosphaniumyl]ethyl]amino]ethyl]-oxophosphanium is sourced from PubChem (CID 6329706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).