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

C18H26BrN2P — CID 139174386

IUPAC[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide
SMILESCC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H25N2P.BrH/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
InChIKeyKDMWDXDBOWDPGD-UHFFFAOYSA-N
MW381.30 g/mol
LogP-0.76
Rot. Bonds5

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

[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide (PubChem CID 139174386) has the molecular formula C18H26BrN2P and a molecular weight of 381.30 g/mol. Its IUPAC name is [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide.

Molecular Properties

Compound Name[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide
PubChem CID139174386
Molecular FormulaC18H26BrN2P
Molecular Weight381.30 g/mol
Exact Mass380.10
IUPAC Name[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide
SMILESCC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H25N2P.BrH/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
InChIKeyKDMWDXDBOWDPGD-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 ≤ 500381.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide?
The IUPAC name of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide (CID 139174386) is [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide.
What is the SMILES notation for [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide?
The canonical SMILES for [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide is CC(C)NP(=[NH+]C(C)C)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of [diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide?
The InChIKey is KDMWDXDBOWDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2P.BrH/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 bromide?
[diphenyl-(propan-2-ylamino)-λ5-phosphanylidene]-propan-2-ylazanium bromide has a molecular weight of 381.30 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 bromide is sourced from PubChem (CID 139174386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).