butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium

C16H36NOP2+ — CID 6329640

IUPACbutyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium
SMILESCCCCPCCN(CCCC)CC[P+](=O)CCCC
InChIInChI=1S/C16H36NOP2/c1-4-7-10-17(11-14-19-13-8-5-2)12-16-20(18)15-9-6-3/h19H,4-16H2,1-3H3/q+1
InChIKeyXASMJCLQFIJBRH-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.19
Rot. Bonds15

About butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium

butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium (PubChem CID 6329640) has the molecular formula C16H36NOP2+ and a molecular weight of 320.42 g/mol. Its IUPAC name is butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium.

Molecular Properties

Compound Namebutyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium
PubChem CID6329640
Molecular FormulaC16H36NOP2+
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC Namebutyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium
SMILESCCCCPCCN(CCCC)CC[P+](=O)CCCC
InChIInChI=1S/C16H36NOP2/c1-4-7-10-17(11-14-19-13-8-5-2)12-16-20(18)15-9-6-3/h19H,4-16H2,1-3H3/q+1
InChIKeyXASMJCLQFIJBRH-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium?
The IUPAC name of butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium (CID 6329640) is butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium.
What is the SMILES notation for butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium?
The canonical SMILES for butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium is CCCCPCCN(CCCC)CC[P+](=O)CCCC.
What is the InChIKey of butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium?
The InChIKey is XASMJCLQFIJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NOP2/c1-4-7-10-17(11-14-19-13-8-5-2)12-16-20(18)15-9-6-3/h19H,4-16H2,1-3H3/q+1.
What are the key properties of butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium?
butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium has a molecular weight of 320.42 g/mol, XLogP of 5.19, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[butyl(2-butylphosphanylethyl)amino]ethyl]-oxophosphanium is sourced from PubChem (CID 6329640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).