amino-oxo-(propan-2-ylamino)phosphanium

C3H10N2OP+ — CID 173115643

IUPACamino-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](N)=O
InChIInChI=1S/C3H10N2OP/c1-3(2)5-7(4)6/h3H,1-2H3,(H3,4,5,6)/q+1
InChIKeyQIMXOFPJEYQSPE-UHFFFAOYSA-N
MW121.10 g/mol
LogP0.60
Rot. Bonds2

About amino-oxo-(propan-2-ylamino)phosphanium

amino-oxo-(propan-2-ylamino)phosphanium (PubChem CID 173115643) has the molecular formula C3H10N2OP+ and a molecular weight of 121.10 g/mol. Its IUPAC name is amino-oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Nameamino-oxo-(propan-2-ylamino)phosphanium
PubChem CID173115643
Molecular FormulaC3H10N2OP+
Molecular Weight121.10 g/mol
Exact Mass121.05
IUPAC Nameamino-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](N)=O
InChIInChI=1S/C3H10N2OP/c1-3(2)5-7(4)6/h3H,1-2H3,(H3,4,5,6)/q+1
InChIKeyQIMXOFPJEYQSPE-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of amino-oxo-(propan-2-ylamino)phosphanium (CID 173115643) is amino-oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for amino-oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for amino-oxo-(propan-2-ylamino)phosphanium is CC(C)N[P+](N)=O.
What is the InChIKey of amino-oxo-(propan-2-ylamino)phosphanium?
The InChIKey is QIMXOFPJEYQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OP/c1-3(2)5-7(4)6/h3H,1-2H3,(H3,4,5,6)/q+1.
What are the key properties of amino-oxo-(propan-2-ylamino)phosphanium?
amino-oxo-(propan-2-ylamino)phosphanium has a molecular weight of 121.10 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 173115643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).