benzyl-bis(butylamino)-phenylphosphanium iodide

C21H32IN2P — CID 3056464

IUPACbenzyl-bis(butylamino)-phenylphosphanium iodide
SMILESCCCCN[P+](Cc1ccccc1)(NCCCC)c1ccccc1.[I-]
InChIInChI=1S/C21H32N2P.HI/c1-3-5-17-22-24(23-18-6-4-2,21-15-11-8-12-16-21)19-20-13-9-7-10-14-20;/h7-16,22-23H,3-6,17-19H2,1-2H3;1H/q+1;/p-1
InChIKeyUARIUZASNYFDRN-UHFFFAOYSA-M
MW470.38 g/mol
LogP2.14
Rot. Bonds11

About benzyl-bis(butylamino)-phenylphosphanium iodide

benzyl-bis(butylamino)-phenylphosphanium iodide (PubChem CID 3056464) has the molecular formula C21H32IN2P and a molecular weight of 470.38 g/mol. Its IUPAC name is benzyl-bis(butylamino)-phenylphosphanium iodide.

Molecular Properties

Compound Namebenzyl-bis(butylamino)-phenylphosphanium iodide
PubChem CID3056464
Molecular FormulaC21H32IN2P
Molecular Weight470.38 g/mol
Exact Mass470.13
IUPAC Namebenzyl-bis(butylamino)-phenylphosphanium iodide
SMILESCCCCN[P+](Cc1ccccc1)(NCCCC)c1ccccc1.[I-]
InChIInChI=1S/C21H32N2P.HI/c1-3-5-17-22-24(23-18-6-4-2,21-15-11-8-12-16-21)19-20-13-9-7-10-14-20;/h7-16,22-23H,3-6,17-19H2,1-2H3;1H/q+1;/p-1
InChIKeyUARIUZASNYFDRN-UHFFFAOYSA-M
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-bis(butylamino)-phenylphosphanium iodide?
The IUPAC name of benzyl-bis(butylamino)-phenylphosphanium iodide (CID 3056464) is benzyl-bis(butylamino)-phenylphosphanium iodide.
What is the SMILES notation for benzyl-bis(butylamino)-phenylphosphanium iodide?
The canonical SMILES for benzyl-bis(butylamino)-phenylphosphanium iodide is CCCCN[P+](Cc1ccccc1)(NCCCC)c1ccccc1.[I-].
What is the InChIKey of benzyl-bis(butylamino)-phenylphosphanium iodide?
The InChIKey is UARIUZASNYFDRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H32N2P.HI/c1-3-5-17-22-24(23-18-6-4-2,21-15-11-8-12-16-21)19-20-13-9-7-10-14-20;/h7-16,22-23H,3-6,17-19H2,1-2H3;1H/q+1;/p-1.
What are the key properties of benzyl-bis(butylamino)-phenylphosphanium iodide?
benzyl-bis(butylamino)-phenylphosphanium iodide has a molecular weight of 470.38 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(butylamino)-phenylphosphanium iodide is sourced from PubChem (CID 3056464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).