tributyl-[3-(dimethylamino)propyl]phosphanium chloride

C17H39ClNP — CID 19764961

IUPACtributyl-[3-(dimethylamino)propyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)CCCN(C)C.[Cl-]
InChIInChI=1S/C17H39NP.ClH/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5;/h6-17H2,1-5H3;1H/q+1;/p-1
InChIKeyGYEOACGWEIZCPJ-UHFFFAOYSA-M
MW323.93 g/mol
LogP2.36
Rot. Bonds13

About tributyl-[3-(dimethylamino)propyl]phosphanium chloride

tributyl-[3-(dimethylamino)propyl]phosphanium chloride (PubChem CID 19764961) has the molecular formula C17H39ClNP and a molecular weight of 323.93 g/mol. Its IUPAC name is tributyl-[3-(dimethylamino)propyl]phosphanium chloride.

Molecular Properties

Compound Nametributyl-[3-(dimethylamino)propyl]phosphanium chloride
PubChem CID19764961
Molecular FormulaC17H39ClNP
Molecular Weight323.93 g/mol
Exact Mass323.25
IUPAC Nametributyl-[3-(dimethylamino)propyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)CCCN(C)C.[Cl-]
InChIInChI=1S/C17H39NP.ClH/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5;/h6-17H2,1-5H3;1H/q+1;/p-1
InChIKeyGYEOACGWEIZCPJ-UHFFFAOYSA-M
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.93
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
tetrabutylphosphanium;tin(4+)
CID 160650774
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
dibutyl(didecyl)phosphanium chloride
CID 87777295
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(dimethylamino)propyl]phosphanium chloride?
The IUPAC name of tributyl-[3-(dimethylamino)propyl]phosphanium chloride (CID 19764961) is tributyl-[3-(dimethylamino)propyl]phosphanium chloride.
What is the SMILES notation for tributyl-[3-(dimethylamino)propyl]phosphanium chloride?
The canonical SMILES for tributyl-[3-(dimethylamino)propyl]phosphanium chloride is CCCC[P+](CCCC)(CCCC)CCCN(C)C.[Cl-].
What is the InChIKey of tributyl-[3-(dimethylamino)propyl]phosphanium chloride?
The InChIKey is GYEOACGWEIZCPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H39NP.ClH/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5;/h6-17H2,1-5H3;1H/q+1;/p-1.
What are the key properties of tributyl-[3-(dimethylamino)propyl]phosphanium chloride?
tributyl-[3-(dimethylamino)propyl]phosphanium chloride has a molecular weight of 323.93 g/mol, XLogP of 2.36, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(dimethylamino)propyl]phosphanium chloride is sourced from PubChem (CID 19764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).