bis(tert-butylamino)phosphanium

C8H22N2P+ — CID 155936139

IUPACbis(tert-butylamino)phosphanium
SMILESCC(C)(C)N[PH2+]NC(C)(C)C
InChIInChI=1S/C8H21N2P/c1-7(2,3)9-11-10-8(4,5)6/h9-11H,1-6H3/p+1
InChIKeyIYAFBUUOAVAQQG-UHFFFAOYSA-O
MW177.25 g/mol
LogP2.00
Rot. Bonds2

About bis(tert-butylamino)phosphanium

bis(tert-butylamino)phosphanium (PubChem CID 155936139) has the molecular formula C8H22N2P+ and a molecular weight of 177.25 g/mol. Its IUPAC name is bis(tert-butylamino)phosphanium.

Molecular Properties

Compound Namebis(tert-butylamino)phosphanium
PubChem CID155936139
Molecular FormulaC8H22N2P+
Molecular Weight177.25 g/mol
Exact Mass177.15
IUPAC Namebis(tert-butylamino)phosphanium
SMILESCC(C)(C)N[PH2+]NC(C)(C)C
InChIInChI=1S/C8H21N2P/c1-7(2,3)9-11-10-8(4,5)6/h9-11H,1-6H3/p+1
InChIKeyIYAFBUUOAVAQQG-UHFFFAOYSA-O
XLogP2.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylamino)phosphanium?
The IUPAC name of bis(tert-butylamino)phosphanium (CID 155936139) is bis(tert-butylamino)phosphanium.
What is the SMILES notation for bis(tert-butylamino)phosphanium?
The canonical SMILES for bis(tert-butylamino)phosphanium is CC(C)(C)N[PH2+]NC(C)(C)C.
What is the InChIKey of bis(tert-butylamino)phosphanium?
The InChIKey is IYAFBUUOAVAQQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H21N2P/c1-7(2,3)9-11-10-8(4,5)6/h9-11H,1-6H3/p+1.
What are the key properties of bis(tert-butylamino)phosphanium?
bis(tert-butylamino)phosphanium has a molecular weight of 177.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylamino)phosphanium is sourced from PubChem (CID 155936139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).