bis[bis(prop-2-enyl)amino]phosphanium

C12H22N2P+ — CID 173462089

IUPACbis[bis(prop-2-enyl)amino]phosphanium
SMILESC=CCN(CC=C)[PH2+]N(CC=C)CC=C
InChIInChI=1S/C12H21N2P/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h5-8,15H,1-4,9-12H2/p+1
InChIKeyGOOARGCPSQZGTP-UHFFFAOYSA-O
MW225.30 g/mol
LogP2.58
Rot. Bonds10

About bis[bis(prop-2-enyl)amino]phosphanium

bis[bis(prop-2-enyl)amino]phosphanium (PubChem CID 173462089) has the molecular formula C12H22N2P+ and a molecular weight of 225.30 g/mol. Its IUPAC name is bis[bis(prop-2-enyl)amino]phosphanium.

Molecular Properties

Compound Namebis[bis(prop-2-enyl)amino]phosphanium
PubChem CID173462089
Molecular FormulaC12H22N2P+
Molecular Weight225.30 g/mol
Exact Mass225.15
IUPAC Namebis[bis(prop-2-enyl)amino]phosphanium
SMILESC=CCN(CC=C)[PH2+]N(CC=C)CC=C
InChIInChI=1S/C12H21N2P/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h5-8,15H,1-4,9-12H2/p+1
InChIKeyGOOARGCPSQZGTP-UHFFFAOYSA-O
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[bis(prop-2-enyl)amino]phosphanium?
The IUPAC name of bis[bis(prop-2-enyl)amino]phosphanium (CID 173462089) is bis[bis(prop-2-enyl)amino]phosphanium.
What is the SMILES notation for bis[bis(prop-2-enyl)amino]phosphanium?
The canonical SMILES for bis[bis(prop-2-enyl)amino]phosphanium is C=CCN(CC=C)[PH2+]N(CC=C)CC=C.
What is the InChIKey of bis[bis(prop-2-enyl)amino]phosphanium?
The InChIKey is GOOARGCPSQZGTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N2P/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h5-8,15H,1-4,9-12H2/p+1.
What are the key properties of bis[bis(prop-2-enyl)amino]phosphanium?
bis[bis(prop-2-enyl)amino]phosphanium has a molecular weight of 225.30 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(prop-2-enyl)amino]phosphanium is sourced from PubChem (CID 173462089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).