3-aminopropyl(tributyl)phosphanium;hydrobromide

C15H36BrNP+ — CID 175805466

IUPAC3-aminopropyl(tributyl)phosphanium;hydrobromide
SMILESBr.CCCC[P+](CCCC)(CCCC)CCCN
InChIInChI=1S/C15H35NP.BrH/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16;/h4-16H2,1-3H3;1H/q+1;
InChIKeyVSKLQQGKYWNXMV-UHFFFAOYSA-N
MW341.34 g/mol
LogP5.33
Rot. Bonds12

About 3-aminopropyl(tributyl)phosphanium;hydrobromide

3-aminopropyl(tributyl)phosphanium;hydrobromide (PubChem CID 175805466) has the molecular formula C15H36BrNP+ and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-aminopropyl(tributyl)phosphanium;hydrobromide.

Molecular Properties

Compound Name3-aminopropyl(tributyl)phosphanium;hydrobromide
PubChem CID175805466
Molecular FormulaC15H36BrNP+
Molecular Weight341.34 g/mol
Exact Mass340.18
IUPAC Name3-aminopropyl(tributyl)phosphanium;hydrobromide
SMILESBr.CCCC[P+](CCCC)(CCCC)CCCN
InChIInChI=1S/C15H35NP.BrH/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16;/h4-16H2,1-3H3;1H/q+1;
InChIKeyVSKLQQGKYWNXMV-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
4-propan-2-yloctan-1-amine
CID 126657786
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247
dibutyl(didecyl)phosphanium iodide
CID 87776919
tributyl(pentadecyl)phosphanium bromide
CID 86639781

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(tributyl)phosphanium;hydrobromide?
The IUPAC name of 3-aminopropyl(tributyl)phosphanium;hydrobromide (CID 175805466) is 3-aminopropyl(tributyl)phosphanium;hydrobromide.
What is the SMILES notation for 3-aminopropyl(tributyl)phosphanium;hydrobromide?
The canonical SMILES for 3-aminopropyl(tributyl)phosphanium;hydrobromide is Br.CCCC[P+](CCCC)(CCCC)CCCN.
What is the InChIKey of 3-aminopropyl(tributyl)phosphanium;hydrobromide?
The InChIKey is VSKLQQGKYWNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NP.BrH/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16;/h4-16H2,1-3H3;1H/q+1;.
What are the key properties of 3-aminopropyl(tributyl)phosphanium;hydrobromide?
3-aminopropyl(tributyl)phosphanium;hydrobromide has a molecular weight of 341.34 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(tributyl)phosphanium;hydrobromide is sourced from PubChem (CID 175805466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).