[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride

C18H26ClN2P — CID 139174388

IUPAC[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride
SMILESCC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H25N2P.ClH/c1-15(2)19-21(20-16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-16H,1-4H3,(H,19,20);1H
InChIKeyRWVANZNOSLMETO-UHFFFAOYSA-N
MW336.85 g/mol
LogP-0.76
Rot. Bonds5

About [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride

[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride (PubChem CID 139174388) has the molecular formula C18H26ClN2P and a molecular weight of 336.85 g/mol. Its IUPAC name is [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride.

Molecular Properties

Compound Name[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride
PubChem CID139174388
Molecular FormulaC18H26ClN2P
Molecular Weight336.85 g/mol
Exact Mass336.15
IUPAC Name[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride
SMILESCC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H25N2P.ClH/c1-15(2)19-21(20-16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-16H,1-4H3,(H,19,20);1H
InChIKeyRWVANZNOSLMETO-UHFFFAOYSA-N
XLogP-0.76
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride 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 [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride?
The IUPAC name of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride (CID 139174388) is [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride.
What is the SMILES notation for [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride?
The canonical SMILES for [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride is CC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride?
The InChIKey is RWVANZNOSLMETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2P.ClH/c1-15(2)19-21(20-16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-16H,1-4H3,(H,19,20);1H.
What are the key properties of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride?
[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride has a molecular weight of 336.85 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium chloride is sourced from PubChem (CID 139174388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).