amino(tributyl)phosphanium

C12H29NP+ — CID 23069637

IUPACamino(tributyl)phosphanium
SMILESCCCC[P+](N)(CCCC)CCCC
InChIInChI=1S/C12H29NP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-13H2,1-3H3/q+1
InChIKeySIHIJECFFOFEML-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.28
Rot. Bonds9

About amino(tributyl)phosphanium

amino(tributyl)phosphanium (PubChem CID 23069637) has the molecular formula C12H29NP+ and a molecular weight of 218.34 g/mol. Its IUPAC name is amino(tributyl)phosphanium.

Molecular Properties

Compound Nameamino(tributyl)phosphanium
PubChem CID23069637
Molecular FormulaC12H29NP+
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Nameamino(tributyl)phosphanium
SMILESCCCC[P+](N)(CCCC)CCCC
InChIInChI=1S/C12H29NP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-13H2,1-3H3/q+1
InChIKeySIHIJECFFOFEML-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino(tributyl)phosphanium?
The IUPAC name of amino(tributyl)phosphanium (CID 23069637) is amino(tributyl)phosphanium.
What is the SMILES notation for amino(tributyl)phosphanium?
The canonical SMILES for amino(tributyl)phosphanium is CCCC[P+](N)(CCCC)CCCC.
What is the InChIKey of amino(tributyl)phosphanium?
The InChIKey is SIHIJECFFOFEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-13H2,1-3H3/q+1.
What are the key properties of amino(tributyl)phosphanium?
amino(tributyl)phosphanium has a molecular weight of 218.34 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(tributyl)phosphanium is sourced from PubChem (CID 23069637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).