tert-butyl-tris(dimethylamino)phosphanium

C10H27N3P+ — CID 171727444

IUPACtert-butyl-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](N(C)C)(N(C)C)C(C)(C)C
InChIInChI=1S/C10H27N3P/c1-10(2,3)14(11(4)5,12(6)7)13(8)9/h1-9H3/q+1
InChIKeyCTHZSUGXSMJDPT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl-tris(dimethylamino)phosphanium

tert-butyl-tris(dimethylamino)phosphanium (PubChem CID 171727444) has the molecular formula C10H27N3P+ and a molecular weight of 220.32 g/mol. Its IUPAC name is tert-butyl-tris(dimethylamino)phosphanium.

Molecular Properties

Compound Nametert-butyl-tris(dimethylamino)phosphanium
PubChem CID171727444
Molecular FormulaC10H27N3P+
Molecular Weight220.32 g/mol
Exact Mass220.19
IUPAC Nametert-butyl-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](N(C)C)(N(C)C)C(C)(C)C
InChIInChI=1S/C10H27N3P/c1-10(2,3)14(11(4)5,12(6)7)13(8)9/h1-9H3/q+1
InChIKeyCTHZSUGXSMJDPT-UHFFFAOYSA-N
XLogP2.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-tris(dimethylamino)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-tris(dimethylamino)phosphanium?
The IUPAC name of tert-butyl-tris(dimethylamino)phosphanium (CID 171727444) is tert-butyl-tris(dimethylamino)phosphanium.
What is the SMILES notation for tert-butyl-tris(dimethylamino)phosphanium?
The canonical SMILES for tert-butyl-tris(dimethylamino)phosphanium is CN(C)[P+](N(C)C)(N(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-tris(dimethylamino)phosphanium?
The InChIKey is CTHZSUGXSMJDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3P/c1-10(2,3)14(11(4)5,12(6)7)13(8)9/h1-9H3/q+1.
What are the key properties of tert-butyl-tris(dimethylamino)phosphanium?
tert-butyl-tris(dimethylamino)phosphanium has a molecular weight of 220.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-tris(dimethylamino)phosphanium is sourced from PubChem (CID 171727444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).