azane;tetrabutylphosphanium;chloride;hydrochloride

C16H40Cl2NP — CID 174751452

IUPACazane;tetrabutylphosphanium;chloride;hydrochloride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.Cl.N.[Cl-]
InChIInChI=1S/C16H36P.2ClH.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyODAOPDXFNQCXAB-UHFFFAOYSA-M
MW348.38 g/mol
LogP3.79
Rot. Bonds12

About azane;tetrabutylphosphanium;chloride;hydrochloride

azane;tetrabutylphosphanium;chloride;hydrochloride (PubChem CID 174751452) has the molecular formula C16H40Cl2NP and a molecular weight of 348.38 g/mol. Its IUPAC name is azane;tetrabutylphosphanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;tetrabutylphosphanium;chloride;hydrochloride
PubChem CID174751452
Molecular FormulaC16H40Cl2NP
Molecular Weight348.38 g/mol
Exact Mass347.23
IUPAC Nameazane;tetrabutylphosphanium;chloride;hydrochloride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.Cl.N.[Cl-]
InChIInChI=1S/C16H36P.2ClH.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyODAOPDXFNQCXAB-UHFFFAOYSA-M
XLogP3.79
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;tetrabutylphosphanium;chloride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
triheptyl(nonyl)phosphanium chloride
CID 87778209
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of azane;tetrabutylphosphanium;chloride;hydrochloride?
The IUPAC name of azane;tetrabutylphosphanium;chloride;hydrochloride (CID 174751452) is azane;tetrabutylphosphanium;chloride;hydrochloride.
What is the SMILES notation for azane;tetrabutylphosphanium;chloride;hydrochloride?
The canonical SMILES for azane;tetrabutylphosphanium;chloride;hydrochloride is CCCC[P+](CCCC)(CCCC)CCCC.Cl.N.[Cl-].
What is the InChIKey of azane;tetrabutylphosphanium;chloride;hydrochloride?
The InChIKey is ODAOPDXFNQCXAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36P.2ClH.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;tetrabutylphosphanium;chloride;hydrochloride?
azane;tetrabutylphosphanium;chloride;hydrochloride has a molecular weight of 348.38 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetrabutylphosphanium;chloride;hydrochloride is sourced from PubChem (CID 174751452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).