amino(tributyl)phosphanium chloride

C12H29ClNP — CID 160955506

IUPACamino(tributyl)phosphanium chloride
SMILESCCCC[P+](N)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C12H29NP.ClH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H/q+1;/p-1
InChIKeySWIFOCBRDIGMHW-UHFFFAOYSA-M
MW253.80 g/mol
LogP1.28
Rot. Bonds9

About amino(tributyl)phosphanium chloride

amino(tributyl)phosphanium chloride (PubChem CID 160955506) has the molecular formula C12H29ClNP and a molecular weight of 253.80 g/mol. Its IUPAC name is amino(tributyl)phosphanium chloride.

Molecular Properties

Compound Nameamino(tributyl)phosphanium chloride
PubChem CID160955506
Molecular FormulaC12H29ClNP
Molecular Weight253.80 g/mol
Exact Mass253.17
IUPAC Nameamino(tributyl)phosphanium chloride
SMILESCCCC[P+](N)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C12H29NP.ClH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H/q+1;/p-1
InChIKeySWIFOCBRDIGMHW-UHFFFAOYSA-M
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze amino(tributyl)phosphanium chloride 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

icosane-5,10,16-triamine
CID 88870264
1-chlorohexane-1,2-diamine
CID 151875829
1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
tributyl(ethyl)phosphanium;yttrium
CID 157495061
1,1,1-trifluorohexan-2-amine
CID 50998628
1-aminopentyl(trifluoro)boranuide
CID 170991596
(16R)-16-butyldocosan-7-amine
CID 138605892
3-ethylheptan-2-amine
CID 61000696
hexane-1,1-diamine;hydrobromide
CID 141245501

Frequently Asked Questions

What is the IUPAC name of amino(tributyl)phosphanium chloride?
The IUPAC name of amino(tributyl)phosphanium chloride (CID 160955506) is amino(tributyl)phosphanium chloride.
What is the SMILES notation for amino(tributyl)phosphanium chloride?
The canonical SMILES for amino(tributyl)phosphanium chloride is CCCC[P+](N)(CCCC)CCCC.[Cl-].
What is the InChIKey of amino(tributyl)phosphanium chloride?
The InChIKey is SWIFOCBRDIGMHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H29NP.ClH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H/q+1;/p-1.
What are the key properties of amino(tributyl)phosphanium chloride?
amino(tributyl)phosphanium chloride has a molecular weight of 253.80 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(tributyl)phosphanium chloride is sourced from PubChem (CID 160955506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).