3-(bromoamino)propyl-tributylphosphanium bromide

C15H34Br2NP — CID 71532317

IUPAC3-(bromoamino)propyl-tributylphosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CCCNBr.[Br-]
InChIInChI=1S/C15H34BrNP.BrH/c1-4-7-12-18(13-8-5-2,14-9-6-3)15-10-11-17-16;/h17H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyFKKFDLGIOYXVIB-UHFFFAOYSA-M
MW419.23 g/mol
LogP2.70
Rot. Bonds13

About 3-(bromoamino)propyl-tributylphosphanium bromide

3-(bromoamino)propyl-tributylphosphanium bromide (PubChem CID 71532317) has the molecular formula C15H34Br2NP and a molecular weight of 419.23 g/mol. Its IUPAC name is 3-(bromoamino)propyl-tributylphosphanium bromide.

Molecular Properties

Compound Name3-(bromoamino)propyl-tributylphosphanium bromide
PubChem CID71532317
Molecular FormulaC15H34Br2NP
Molecular Weight419.23 g/mol
Exact Mass417.08
IUPAC Name3-(bromoamino)propyl-tributylphosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CCCNBr.[Br-]
InChIInChI=1S/C15H34BrNP.BrH/c1-4-7-12-18(13-8-5-2,14-9-6-3)15-10-11-17-16;/h17H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyFKKFDLGIOYXVIB-UHFFFAOYSA-M
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(pentadecyl)phosphanium bromide
CID 86639781
N-bromooctan-1-amine
CID 89240139
N-bromopentadecan-1-amine
CID 174706274
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
N-bromohexadecan-1-amine;iron
CID 174774540
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(dipentyl)phosphanium iodide
CID 87778767
tributyl(tridecyl)phosphanium
CID 87194469
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452

Frequently Asked Questions

What is the IUPAC name of 3-(bromoamino)propyl-tributylphosphanium bromide?
The IUPAC name of 3-(bromoamino)propyl-tributylphosphanium bromide (CID 71532317) is 3-(bromoamino)propyl-tributylphosphanium bromide.
What is the SMILES notation for 3-(bromoamino)propyl-tributylphosphanium bromide?
The canonical SMILES for 3-(bromoamino)propyl-tributylphosphanium bromide is CCCC[P+](CCCC)(CCCC)CCCNBr.[Br-].
What is the InChIKey of 3-(bromoamino)propyl-tributylphosphanium bromide?
The InChIKey is FKKFDLGIOYXVIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34BrNP.BrH/c1-4-7-12-18(13-8-5-2,14-9-6-3)15-10-11-17-16;/h17H,4-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-(bromoamino)propyl-tributylphosphanium bromide?
3-(bromoamino)propyl-tributylphosphanium bromide has a molecular weight of 419.23 g/mol, XLogP of 2.70, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromoamino)propyl-tributylphosphanium bromide is sourced from PubChem (CID 71532317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).